UCSF

ZINC69675536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 15 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) 1.44 2.32 -33.54 3 3 1 46 214.329 2
Hi High (pH 8-9.5) 1.44 1.49 -2.8 2 3 0 41 213.321 2

Activity (Go SEA)

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

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