UCSF

ZINC37870258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 11 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) 1.69 1.31 -36.5 4 3 1 60 159.253 6
Hi High (pH 8-9.5) 1.69 0.28 -5.87 3 3 0 55 158.245 6

Activity (Go SEA)

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