UCSF

ZINC65742672

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 29 Yes

Other Names:

MFCD19441439

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) 1.37 10.25 -95.78 2 7 0 91 401.438 4
Hi High (pH 8-9.5) 1.37 8.96 -60.45 1 7 -1 87 400.43 4
Lo Low (pH 4.5-6) -1.38 8.36 -76.46 3 7 1 94 402.446 3

Activity (Go SEA)

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

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