UCSF

ZINC44683714

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 Yes

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 -1.41 -12.67 4 6 0 89 227.264 7
Mid Mid (pH 6-8) -0.96 -3.26 -53.17 4 6 1 88 228.272 7

Activity (Go SEA)

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