UCSF

ZINC31703628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 17 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) 2.55 8.55 -5.67 0 2 0 16 224.307 3
Mid Mid (pH 6-8) 2.55 9 -35.47 1 2 1 17 225.315 3

Activity (Go SEA)

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