UCSF

ZINC34550240

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) -0.83 -1.67 -100.84 7 3 2 67 147.266 4
Mid Mid (pH 6-8) -0.83 -0.49 -226.77 8 3 3 72 148.274 4

Activity (Go SEA)

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