UCSF

ZINC34582466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 10 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) -1.10 -0.68 -104.42 5 3 2 52 146.234 3
Mid Mid (pH 6-8) -1.10 -1.02 -28.66 4 3 1 51 145.226 3
Mid Mid (pH 6-8) -1.10 -3 -42.19 4 3 1 51 145.226 3

Activity (Go SEA)

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