UCSF

ZINC06689390

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 25 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 11.25 -30.06 1 5 1 53 336.415 6
Mid Mid (pH 6-8) 2.55 10.49 -10.15 0 5 0 51 335.407 6

Activity (Go SEA)

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