UCSF

ZINC16730637

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 23 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) 4.45 5.5 -45.81 0 4 -1 57 344.334 5
Mid Mid (pH 6-8) 4.45 5.45 -8.71 1 4 0 55 345.342 5

Activity (Go SEA)

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