UCSF

ZINC34827544

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 6.67 15.92 -57.6 0 5 -1 70 478.653 12
Mid Mid (pH 6-8) 6.67 17.21 -58.5 1 5 0 71 479.661 12

Activity (Go SEA)

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