UCSF

ZINC01152242

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.92 1.72 -58.34 1 7 -1 112 267.242 4
Hi High (pH 8-9.5) 0.92 1.77 -104.47 0 7 -2 114 266.234 4
Lo Low (pH 4.5-6) 0.92 2.15 -53.39 2 7 0 114 268.25 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.