UCSF

ZINC37337726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 1.09 2.79 -6.54 0 3 0 30 197.278 1
Lo Low (pH 4.5-6) 1.09 4.93 -33.52 1 3 1 31 198.286 1

Activity (Go SEA)

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