UCSF

ZINC43285817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 17 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) 1.53 2.89 -33.03 4 3 1 51 320.276 3
Hi High (pH 8-9.5) 1.52 1.23 -3.6 3 3 0 49 319.268 3
Mid Mid (pH 6-8) 1.53 1.38 -44.77 4 3 1 51 320.276 3
Lo Low (pH 4.5-6) 1.53 3.18 -116.55 5 3 2 52 321.284 3

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