UCSF

ZINC71565137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.62 4.05 -57.02 1 6 0 75 327.45 7
Hi High (pH 8-9.5) 1.62 1.67 -42.45 0 6 -1 74 326.442 7
Lo Low (pH 4.5-6) 1.62 4.01 -42.19 2 6 1 73 328.458 7

Activity (Go SEA)

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

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