UCSF

ZINC00696216

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 3.17 11.37 -15.24 0 6 0 53 487.641 10
Mid Mid (pH 6-8) 3.17 13.71 -57.98 1 6 1 54 488.649 10

Activity (Go SEA)

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