UCSF

ZINC49333767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 14 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) -1.08 6.11 -81.79 3 4 1 61 201.29 6
Mid Mid (pH 6-8) -1.08 3.61 -34.25 2 4 0 60 200.282 6
Mid Mid (pH 6-8) -1.08 4.88 -57.95 2 4 0 57 200.282 6

Activity (Go SEA)

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