UCSF

ZINC46448359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.42 4.1 -41.4 3 5 1 63 270.397 5
Mid Mid (pH 6-8) 1.42 1.92 -10.54 2 5 0 61 269.389 5

Activity (Go SEA)

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