UCSF

ZINC52165729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 24 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) 0.54 7.25 -42.03 1 6 1 48 335.472 5
Mid Mid (pH 6-8) 0.54 4.96 -11.42 0 6 0 47 334.464 5
Mid Mid (pH 6-8) 0.54 7.17 -44.95 1 6 1 48 335.472 5

Activity (Go SEA)

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