UCSF

ZINC47832801

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 20 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) 3.61 6.11 -29.19 3 4 1 55 272.372 4
Mid Mid (pH 6-8) 3.61 5.67 -13.63 2 4 0 54 271.364 4

Activity (Go SEA)

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