UCSF

ZINC00428787

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 4.37 -1.06 -14.02 1 4 0 42 338.48 4
Mid Mid (pH 6-8) 0.63 -0.85 -27.54 2 4 1 44 339.488 4

Activity (Go SEA)

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