UCSF

ZINC37996932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.53 6.75 -50.3 2 3 1 50 231.319 5
Hi High (pH 8-9.5) 1.53 5.39 -6.2 1 3 0 45 230.311 5

Activity (Go SEA)

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