UCSF

ZINC20129151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 1.03 5.18 -36.26 2 3 1 29 220.34 6
Mid Mid (pH 6-8) 1.03 6.59 -103.45 3 3 2 34 221.348 6
Mid Mid (pH 6-8) 1.03 4.07 -39.4 2 3 1 33 220.34 6

Activity (Go SEA)

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

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