UCSF

ZINC34949069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 5.45 13.72 -11.48 0 5 0 38 461.65 8
Mid Mid (pH 6-8) 5.45 15.99 -55.32 1 5 1 39 462.658 8

Activity (Go SEA)

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