UCSF

ZINC69077128

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 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) 1.00 4.96 -31.44 2 4 1 43 237.371 4
Hi High (pH 8-9.5) 1.00 1.35 -5.96 1 4 0 42 236.363 4
Lo Low (pH 4.5-6) 1.00 5.51 -108.06 3 4 2 45 238.379 4
Lo Low (pH 4.5-6) 1.00 5.52 -96.32 3 4 2 48 238.379 4

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

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