UCSF

ZINC49443123

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.00 4.66 -9.29 0 4 0 41 292.404 4
Mid Mid (pH 6-8) 2.00 6.87 -48.26 1 4 1 42 293.412 4

Activity (Go SEA)

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