UCSF

ZINC43396904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.06 7.71 -12 3 3 0 51 285.416 4
Mid Mid (pH 6-8) 3.06 8.04 -40.27 4 3 1 52 286.424 4

Activity (Go SEA)

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