UCSF

ZINC06695649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 2.61 11.04 -10.83 0 6 0 64 379.391 7
Mid Mid (pH 6-8) 2.61 12.43 -37.42 1 6 1 66 380.399 7

Activity (Go SEA)

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