UCSF

ZINC65314453

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 28 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) 1.92 7.48 -16.91 2 8 0 101 389.362 6
Hi High (pH 8-9.5) 1.93 6.93 -63.08 1 8 -1 104 388.354 7

Activity (Go SEA)

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

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