UCSF

ZINC33587895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 34 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) 3.73 11.48 -34.63 0 9 -1 132 471.474 5
Lo Low (pH 4.5-6) 3.73 10.35 -22.68 1 9 0 129 472.482 5

Activity (Go SEA)

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