UCSF

ZINC95618662

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2014 52 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) 4.03 8.95 -62.88 7 13 1 214 712.728 9
Hi High (pH 8-9.5) 4.03 8.65 -24.37 6 13 0 212 711.72 9

Activity (Go SEA)

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

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