UCSF

ZINC06688839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 1.68 7.05 -8.96 1 6 0 67 301.394 4
Mid Mid (pH 6-8) 1.68 7.52 -42.59 2 6 1 68 302.402 4

Activity (Go SEA)

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