UCSF

ZINC42555583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.57 7.8 -113.19 4 2 2 32 242.451 9
Hi High (pH 8-9.5) 3.57 7.74 -24.53 3 2 1 30 241.443 9
Mid Mid (pH 6-8) 3.57 5.98 -42.12 3 2 1 31 241.443 9

Activity (Go SEA)

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