UCSF

ZINC43417146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.93 6.84 -45.37 3 4 1 57 251.398 7
Mid Mid (pH 6-8) 1.93 7.93 -86.66 4 4 2 58 252.406 7

Activity (Go SEA)

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