UCSF

ZINC44648664

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.06 1.12 -52.45 5 6 1 98 252.294 7
Hi High (pH 8-9.5) 0.06 -0.24 -21.89 4 6 0 93 251.286 7

Activity (Go SEA)

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