UCSF

ZINC29332830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 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) 2.86 4.62 -8.02 3 3 0 44 237.306 1
Lo Low (pH 4.5-6) 2.86 5.99 -47.15 4 3 1 48 238.314 1

Activity (Go SEA)

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