UCSF

ZINC44811345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 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) -0.17 0.08 -16.02 1 5 0 65 211.265 4
Mid Mid (pH 6-8) -0.17 2.34 -54.36 2 5 1 67 212.273 4

Activity (Go SEA)

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