UCSF

ZINC44518553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 0.71 6.19 -172.91 5 4 3 46 272.457 7
Hi High (pH 8-9.5) 0.71 4.95 -74.28 4 4 2 41 271.449 7
Mid Mid (pH 6-8) 0.71 6.72 -93.53 4 4 2 49 271.449 7

Activity (Go SEA)

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