UCSF

ZINC31558676

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 30 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) 2.77 11.46 -15 0 6 0 54 397.482 4
Mid Mid (pH 6-8) 2.77 12.94 -47.85 1 6 1 55 398.49 4
Mid Mid (pH 6-8) 2.77 11.87 -34.02 1 6 1 55 398.49 4
Lo Low (pH 4.5-6) 2.77 13.36 -99.72 2 6 2 56 399.498 4

Activity (Go SEA)

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