UCSF

ZINC00879519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 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) 3.55 0.15 -12.89 1 5 0 75 353.447 5
Lo Low (pH 4.5-6) 3.55 0.27 -44.1 2 5 1 76 354.455 5

Activity (Go SEA)

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