UCSF

ZINC34519860

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) 3.93 8.09 -3.08 1 1 0 12 245.753 5
Lo Low (pH 4.5-6) 3.93 9.44 -40.71 2 1 1 17 246.761 5

Activity (Go SEA)

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