UCSF

ZINC04551347

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 22 No

Other Names:

MFCD02624792

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) 4.40 6.45 -59.05 1 4 -1 65 298.362 6
Hi High (pH 8-9.5) 4.40 6.6 -54.13 1 4 -1 65 298.362 6
Lo Low (pH 4.5-6) 4.40 6.16 -32.51 3 4 1 64 300.378 6

Activity (Go SEA)

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

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