UCSF

ZINC34676562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 23 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) 0.92 8.27 -89.98 3 7 2 63 320.441 2
Hi High (pH 8-9.5) 0.92 4.56 -6.75 1 7 0 57 318.425 2
Mid Mid (pH 6-8) 0.92 5.93 -48.11 2 7 1 61 319.433 2
Mid Mid (pH 6-8) 0.92 6.91 -38.95 2 7 1 58 319.433 2

Activity (Go SEA)

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