UCSF

ZINC34949288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.66 6.14 -11.24 0 6 0 59 483.428 9
Mid Mid (pH 6-8) 3.66 8.4 -49.08 1 6 1 60 484.436 9

Activity (Go SEA)

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