UCSF

ZINC38002346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.86 5.06 -45.36 3 3 1 46 304.233 5
Mid Mid (pH 6-8) 2.86 3.84 -9.13 2 3 0 41 303.225 5

Activity (Go SEA)

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