UCSF

ZINC02574411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) 2.36 8.8 -58.64 0 4 -1 66 247.27 4
Lo Low (pH 4.5-6) 2.36 6.68 -16.31 1 4 0 64 248.278 4

Activity (Go SEA)

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

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