UCSF

ZINC38221297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 16 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) 1.21 0.15 -9.96 4 4 0 71 215.256 1
Lo Low (pH 4.5-6) 1.21 1.44 -45.17 5 4 1 75 216.264 1

Activity (Go SEA)

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