UCSF

ZINC38367765

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2010 21 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) 1.25 3.2 -14.76 2 6 0 78 288.351 6
Mid Mid (pH 6-8) 1.25 5.25 -47.67 3 6 1 79 289.359 6
Mid Mid (pH 6-8) 1.71 2.55 -39.17 2 6 0 82 288.351 6

Activity (Go SEA)

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