UCSF

ZINC40143366

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 6.31 15.37 -51.35 2 4 1 46 434.629 7
Hi High (pH 8-9.5) 6.37 13.94 -69.93 1 4 0 53 433.621 7

Activity (Go SEA)

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