UCSF

ZINC42781730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 0.91 3.41 -29.98 2 4 1 35 231.36 7
Mid Mid (pH 6-8) 0.91 3.96 -106.27 3 4 2 40 232.368 7

Activity (Go SEA)

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