UCSF

ZINC37825118

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.14 5.87 -171.89 5 5 3 57 273.445 6
Mid Mid (pH 6-8) -0.14 5.54 -91.52 4 5 2 55 272.437 6

Activity (Go SEA)

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