UCSF

ZINC43428132

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 4.15 6.23 -35.11 2 3 1 29 279.448 2
Mid Mid (pH 6-8) 4.15 8.41 -117.51 3 3 2 30 280.456 2

Activity (Go SEA)

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