UCSF

ZINC42769027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.68 6.88 -11.9 0 3 0 30 195.225 1
Lo Low (pH 4.5-6) 1.68 7.33 -31.37 1 3 1 31 196.233 1

Activity (Go SEA)

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