UCSF

ZINC17121778

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 20 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) -1.94 -1.18 -61.67 3 10 -1 153 281.204 2
Hi High (pH 8-9.5) -1.48 -2.27 -97.9 2 10 -2 156 280.196 2

Activity (Go SEA)

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