UCSF

ZINC20081260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 23 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) 3.40 8.81 -40.96 3 4 1 46 369.297 1
Mid Mid (pH 6-8) 3.40 6.36 -11.55 2 4 0 44 368.289 1

Activity (Go SEA)

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