UCSF

ZINC05782737

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 20 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) 5.71 10.83 -22.91 1 1 1 14 258.344 0
Mid Mid (pH 6-8) 5.71 10.54 -11.23 0 1 0 13 257.336 0

Activity (Go SEA)

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