UCSF

ZINC40093908

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 23 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) 1.71 2.39 -17.72 2 6 0 85 358.313 7
Mid Mid (pH 6-8) 1.71 2.57 -60.14 1 6 -1 87 357.305 7

Activity (Go SEA)

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