UCSF

ZINC40087917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 27 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) 1.20 8.6 -51.56 2 8 1 82 370.433 7
Hi High (pH 8-9.5) 1.20 6.37 -20.68 1 8 0 81 369.425 7

Activity (Go SEA)

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