UCSF

ZINC43399811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.28 1.75 -8.39 4 6 0 95 264.329 3
Mid Mid (pH 6-8) -0.28 2.18 -29.02 5 6 1 96 265.337 3

Activity (Go SEA)

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