UCSF

ZINC33582419

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 3.13 12.28 -44.35 1 6 1 68 414.485 5
Lo Low (pH 4.5-6) 3.13 13.08 -93.68 2 6 2 69 415.493 5

Activity (Go SEA)

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