UCSF

ZINC38003322

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.83 4.73 -36.1 2 3 1 35 295.222 6
Mid Mid (pH 6-8) 2.83 3.52 -4.97 1 3 0 30 294.214 6

Activity (Go SEA)

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