UCSF

ZINC19977805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 No

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) -0.28 1.54 -45.35 3 5 1 66 228.316 4
Mid Mid (pH 6-8) -0.28 0.16 -5.51 2 5 0 61 227.308 4

Activity (Go SEA)

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