UCSF

ZINC44629184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.15 1.75 -49.95 2 8 -1 105 285.324 5
Mid Mid (pH 6-8) -2.15 3.04 -82.83 3 8 0 109 286.332 5

Activity (Go SEA)

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