UCSF

ZINC37079093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 No

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) 3.27 8.91 -6.84 0 2 0 16 234.73 3
Mid Mid (pH 6-8) 3.27 9.37 -23.63 1 2 1 17 235.738 3

Activity (Go SEA)

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