UCSF

ZINC43992322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.05 8.57 -99.48 3 3 2 36 209.337 4
Mid Mid (pH 6-8) 2.05 7.88 -40.36 2 3 1 34 208.329 4

Activity (Go SEA)

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