UCSF

ZINC32516062

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 19 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) 2.35 5.69 -10.68 0 4 0 45 253.257 1
Lo Low (pH 4.5-6) 2.35 6.1 -34.58 1 4 1 46 254.265 1

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

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