UCSF

ZINC34527829

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 No

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) 0.75 0.77 -82.26 7 5 2 69 287.496 0
Hi High (pH 8-9.5) 0.75 -0.38 -34.17 6 5 1 65 286.488 0
Hi High (pH 8-9.5) 0.75 -1.57 -0.13 5 5 0 60 285.48 0
Mid Mid (pH 6-8) 0.75 2.12 -184.87 8 5 3 74 288.504 0

Activity (Go SEA)

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