UCSF

ZINC69900507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 1.77 1.88 -44.45 0 5 -1 61 293.727 3
Mid Mid (pH 6-8) 1.77 1.64 -8.77 1 5 0 59 294.735 3

Activity (Go SEA)

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