UCSF

ZINC28975544

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 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) 1.31 5.24 -25.12 2 8 0 110 363.424 5
Hi High (pH 8-9.5) 1.77 4.11 -55.32 1 8 -1 113 362.416 5
Hi High (pH 8-9.5) 1.50 4.19 -57.1 1 8 -1 116 362.416 5

Activity (Go SEA)

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