UCSF

ZINC37042390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.50 4.14 -46.92 4 6 1 87 280.396 5
Hi High (pH 8-9.5) 0.50 3.85 -8.96 3 6 0 86 279.388 5

Activity (Go SEA)

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