UCSF

ZINC23141288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 6.37 -46.02 1 8 -1 100 347.358 6
Ref Reference (pH 7) 1.83 10.06 -51.95 1 8 -1 96 347.358 6
Hi High (pH 8-9.5) 2.02 9.23 -50.57 1 8 -1 104 347.358 6
Mid Mid (pH 6-8) 1.83 10.58 -22.07 2 8 0 98 348.366 6
Mid Mid (pH 6-8) 2.02 6.54 -15.04 2 8 0 101 348.366 6
Mid Mid (pH 6-8) 2.02 6.5 -18.64 2 8 0 101 348.366 6
Lo Low (pH 4.5-6) 2.02 7.17 -36 3 8 1 102 349.374 6
Lo Low (pH 4.5-6) 2.02 9.54 -34.93 2 8 0 105 348.366 6
Lo Low (pH 4.5-6) 1.83 10.73 -52.3 3 8 1 99 349.374 6
Lo Low (pH 4.5-6) 2.02 7.21 -38.3 3 8 1 102 349.374 6

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Analogs ( Draw Identity 99% 90% 80% 70% )

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