UCSF

ZINC62668949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 13 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) 2.32 5.05 -5.06 2 3 0 41 179.267 3
Mid Mid (pH 6-8) 2.32 5.16 -24.14 3 3 1 42 180.275 3
Lo Low (pH 4.5-6) 2.32 5.18 -24.05 3 3 1 42 180.275 3

Activity (Go SEA)

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

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