UCSF

ZINC42913991

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.59 5.76 -53.73 3 2 1 31 279.404 5
Lo Low (pH 4.5-6) 2.59 7.77 -124.44 4 2 2 32 280.412 5

Activity (Go SEA)

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