UCSF

ZINC34848558

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 39 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) 5.52 14.19 -12.86 0 6 0 53 523.677 7
Mid Mid (pH 6-8) 5.52 16.43 -51.46 1 6 1 54 524.685 7

Activity (Go SEA)

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