UCSF

ZINC13411759

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 No

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) -2.93 4.91 -161.55 3 9 -2 162 281.224 5
Hi High (pH 8-9.5) -2.93 4.5 -195.24 2 9 -3 161 280.216 5
Mid Mid (pH 6-8) -2.93 5.9 -105.22 4 9 -1 167 282.232 5
Mid Mid (pH 6-8) -2.93 5.44 -106.27 3 9 -2 166 281.224 5

Activity (Go SEA)

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

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