UCSF

ZINC43983142

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 4.19 7.55 -34.84 2 2 1 20 293.397 7
Lo Low (pH 4.5-6) 4.19 9.17 -112.2 3 2 2 21 294.405 7

Activity (Go SEA)

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