UCSF

ZINC48895404

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 21 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) 1.96 4.7 -13.45 0 5 0 55 292.379 11
Mid Mid (pH 6-8) 1.96 7 -41.9 1 5 1 56 293.387 11

Activity (Go SEA)

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