UCSF

ZINC31933020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.91 8.85 -44.04 1 5 1 40 296.35 3
Mid Mid (pH 6-8) 2.91 6.31 -10.5 0 5 0 39 295.342 3
Mid Mid (pH 6-8) 2.91 9.27 -95.75 2 5 2 41 297.358 3

Activity (Go SEA)

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