UCSF

ZINC00051670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD00627705

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) 0.63 2.61 -9.77 2 5 0 75 232.239 4
Hi High (pH 8-9.5) 1.09 0.7 -36.38 1 5 -1 78 231.231 4

Activity (Go SEA)

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

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