UCSF

ZINC34537584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 5.63 13.61 -34.5 1 3 1 23 388.531 6
Mid Mid (pH 6-8) 5.63 11.54 -6.75 0 3 0 22 387.523 6

Activity (Go SEA)

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