UCSF

ZINC36681696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 24 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) 4.66 5.01 -15.56 1 6 0 77 364.188 4
Hi High (pH 8-9.5) 4.18 2.46 -53.21 0 6 -1 84 363.18 4

Activity (Go SEA)

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