UCSF

ZINC34947677

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 4.88 10.15 -12.71 0 5 0 46 446.035 9
Mid Mid (pH 6-8) 4.88 12.41 -62.09 1 5 1 47 447.043 9

Activity (Go SEA)

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