UCSF

ZINC43322907

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 42 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) -0.04 3.99 -83.13 8 12 0 204 583.686 15
Mid Mid (pH 6-8) -0.04 3.6 -55.05 7 12 -1 203 582.678 15

Activity (Go SEA)

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