UCSF

ZINC68948510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 15 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) 1.13 4.52 -46.18 3 4 1 57 207.301 5
Hi High (pH 8-9.5) 1.13 4.11 -9.14 2 4 0 55 206.293 5
Lo Low (pH 4.5-6) 1.13 4.62 -99.14 4 4 2 58 208.309 5
Lo Low (pH 4.5-6) 1.13 4.63 -111.54 4 4 2 58 208.309 5

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

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