UCSF

ZINC12023452

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 20 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) 1.53 2.94 -44.55 3 6 1 86 273.316 4
Hi High (pH 8-9.5) 1.29 1.44 -36.04 2 6 0 90 272.308 4

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

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