UCSF

ZINC33822119

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 5.85 12.39 -43.63 0 2 -1 40 251.39 12
Lo Low (pH 4.5-6) 5.85 10.42 -5.43 1 2 0 37 252.398 12

Activity (Go SEA)

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