UCSF

ZINC00413701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 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) 4.44 -1.03 -12.56 2 4 0 49 347.393 4
Mid Mid (pH 6-8) 0.70 -0.85 -33.05 3 4 1 52 348.401 4

Activity (Go SEA)

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