UCSF

ZINC57734190

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 28 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) 1.78 7.22 -14.09 2 8 0 98 381.436 9
Hi High (pH 8-9.5) 1.97 6.35 -50.98 1 8 -1 104 380.428 9
Lo Low (pH 4.5-6) 1.78 7.7 -39.21 3 8 1 99 382.444 9

Activity (Go SEA)

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

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