UCSF

ZINC35499854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 2.73 10.07 -37.72 1 3 1 19 291.39 8
Hi High (pH 8-9.5) 2.73 7.9 -6.26 0 3 0 17 290.382 8

Activity (Go SEA)

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