UCSF

ZINC34949907

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 6.17 13.09 -10.57 1 5 0 45 467.613 7
Mid Mid (pH 6-8) 6.17 15.35 -54.97 2 5 1 46 468.621 7

Activity (Go SEA)

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