UCSF

ZINC22674153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 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 14.13 -16.02 1 4 0 59 440.568 6
Hi High (pH 8-9.5) 6.73 13.05 -44.58 0 4 -1 65 439.56 6

Activity (Go SEA)

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