UCSF

ZINC56874897

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 35 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) -5.60 -16.56 -302.98 16 17 1 319 535.464 8
Hi High (pH 8-9.5) -5.60 -17.02 -229.97 15 17 0 318 534.456 8
Hi High (pH 8-9.5) -5.60 -17.35 -169.36 14 17 -1 316 533.448 8
Mid Mid (pH 6-8) -5.60 -16.17 -350.63 17 17 2 321 536.472 8
Lo Low (pH 4.5-6) -5.60 -17.32 -316.21 18 17 3 318 537.48 8

Activity (Go SEA)

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

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