UCSF

ZINC42914284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.81 6.07 -48.32 3 2 1 31 291.365 5
Mid Mid (pH 6-8) 2.81 8.95 -122.66 4 2 2 32 292.373 5

Activity (Go SEA)

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