UCSF

ZINC35785320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 1.83 1.77 -6.06 3 3 0 52 243.306 5
Mid Mid (pH 6-8) 1.83 3.14 -46.46 4 3 1 57 244.314 5

Activity (Go SEA)

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