UCSF

ZINC31807729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 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) 4.81 11.81 -34.77 2 2 1 16 337.531 7
Mid Mid (pH 6-8) 4.81 10.67 -44.91 2 2 1 20 337.531 7
Lo Low (pH 4.5-6) 4.81 13.09 -110.06 3 2 2 21 338.539 7

Activity (Go SEA)

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