UCSF

ZINC33691525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 28 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) 1.56 5.24 -26.41 1 8 0 84 404.492 8
Hi High (pH 8-9.5) 1.38 4.17 -47.26 0 8 -1 90 403.484 8
Mid Mid (pH 6-8) 1.56 7.57 -52.88 2 8 1 85 405.5 8

Activity (Go SEA)

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