UCSF

ZINC08692954

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.85 11.94 -48.79 2 6 1 71 478.638 6
Mid Mid (pH 6-8) 4.85 9.83 -13.21 1 6 0 70 477.63 6

Activity (Go SEA)

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