UCSF

ZINC40143649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 6.54 15.47 -54.33 2 4 1 46 509.017 7
Hi High (pH 8-9.5) 6.60 14.04 -69.69 1 4 0 53 508.009 7

Activity (Go SEA)

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