UCSF

ZINC37820328

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.89 3.87 -47.8 3 5 1 74 252.338 4
Hi High (pH 8-9.5) 0.89 3.53 -13.3 2 5 0 72 251.33 4

Activity (Go SEA)

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