UCSF

ZINC00904244

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 25 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) 5.68 -1.15 -7.32 1 4 0 38 400.32 4
Mid Mid (pH 6-8) 1.94 -0.97 -27.21 2 4 1 41 401.328 4

Activity (Go SEA)

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