UCSF

ZINC67954749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 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) 3.00 7.43 -38.34 2 4 1 33 314.453 3
Lo Low (pH 4.5-6) 3.00 9.63 -107.74 3 4 2 34 315.461 3

Activity (Go SEA)

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

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