UCSF

ZINC64549064

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 31 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) -1.01 4.85 -65.49 3 11 -1 155 432.388 4
Mid Mid (pH 6-8) -1.01 2.82 -17.85 4 11 0 152 433.396 4
Lo Low (pH 4.5-6) -3.75 2.97 -30.48 4 11 0 158 433.396 3

Activity (Go SEA)

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

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