UCSF

ZINC23385841

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 22 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) 3.85 5.19 -8.53 1 4 0 55 327.352 6
Mid Mid (pH 6-8) 3.85 5.64 -47.02 0 4 -1 57 326.344 6

Activity (Go SEA)

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