UCSF

ZINC33821525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 25 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) -4.37 1.22 -152.76 7 10 1 171 356.403 10
Hi High (pH 8-9.5) -4.37 0.84 -94.85 6 10 0 169 355.395 10

Activity (Go SEA)

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