UCSF

ZINC42590288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.16 7.96 -35.46 2 2 1 20 255.47 8
Mid Mid (pH 6-8) 4.16 8.67 -31.42 2 2 1 16 255.47 8
Lo Low (pH 4.5-6) 4.16 9.85 -102.05 3 2 2 21 256.478 8

Activity (Go SEA)

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