UCSF

ZINC33790421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 38 No

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) 7.44 15.81 -45.72 0 6 -1 83 525.65 9
Lo Low (pH 4.5-6) 7.44 14.68 -22.83 1 6 0 80 526.658 9

Activity (Go SEA)

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