UCSF

ZINC01429167

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 19 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 8.48 -10.94 2 3 0 43 269.373 3
Mid Mid (pH 6-8) 3.40 8.93 -28.54 3 3 1 45 270.381 3

Activity (Go SEA)

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