UCSF

ZINC41685348

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) -0.92 0.59 -60.75 3 7 1 106 293.365 8
Mid Mid (pH 6-8) -0.92 -0.76 -17.88 2 7 0 102 292.357 8

Activity (Go SEA)

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