UCSF

ZINC00429100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 2.21 3.61 -11.7 1 6 0 77 333.347 4
Lo Low (pH 4.5-6) 2.21 3.89 -41.25 2 6 1 79 334.355 4
Lo Low (pH 4.5-6) 2.21 4.45 -33.38 2 6 1 79 334.355 4
Lo Low (pH 4.5-6) 2.21 4.73 -79.06 3 6 2 80 335.363 4

Activity (Go SEA)

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

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