UCSF

ZINC38998152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 17 Yes

Other Names:

MFCD19288056

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) 2.97 6.47 -36.08 2 2 1 20 233.379 4
Hi High (pH 8-9.5) 2.97 5.22 -2.72 1 2 0 15 232.371 4

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

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