UCSF

ZINC06147163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 34 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) 5.61 10.8 -14.28 2 6 0 92 490.968 7
Mid Mid (pH 6-8) 5.61 10.8 -50.47 1 6 -1 94 489.96 7

Activity (Go SEA)

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