UCSF

ZINC37879137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.76 0.5 -8.41 2 5 0 69 261.325 5
Mid Mid (pH 6-8) 0.76 2.81 -46.46 3 5 1 70 262.333 5

Activity (Go SEA)

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