UCSF

ZINC45658613

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.27 5.66 -98.43 4 4 2 48 264.417 5
Hi High (pH 8-9.5) 0.27 1.8 -42.37 3 4 1 47 263.409 5
Hi High (pH 8-9.5) 0.27 3.8 -31.22 3 4 1 47 263.409 5
Mid Mid (pH 6-8) 0.27 1.88 -90.17 4 4 2 48 264.417 5
Mid Mid (pH 6-8) 0.27 4.16 -117.66 4 4 2 48 264.417 5
Lo Low (pH 4.5-6) 0.27 4.25 -185.03 5 4 3 49 265.425 5

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