UCSF

ZINC07435457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.27 6.18 -50.65 3 5 1 68 324.832 5
Mid Mid (pH 6-8) 1.27 3.98 -17.02 2 5 0 67 323.824 5

Activity (Go SEA)

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