UCSF

ZINC34015569

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 36 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) 4.85 13.95 -52 3 6 1 76 500.022 6
Mid Mid (pH 6-8) 4.85 13.17 -13.98 2 6 0 75 499.014 6

Activity (Go SEA)

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