UCSF

ZINC19929948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 24 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) -0.52 4.34 -48.2 2 7 1 74 331.396 3
Mid Mid (pH 6-8) -0.52 1.98 -17.26 1 7 0 73 330.388 3
Mid Mid (pH 6-8) -0.52 1.96 -17.39 1 7 0 73 330.388 3

Activity (Go SEA)

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