UCSF

ZINC06188065

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 16 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) -2.04 -0.35 -60.42 6 8 1 123 225.232 3
Mid Mid (pH 6-8) -2.04 0.12 -115.71 7 8 2 124 226.24 3

Activity (Go SEA)

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