UCSF

ZINC70304171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 0.45 0.51 -44.99 2 6 1 72 237.283 6
Hi High (pH 8-9.5) 0.45 -0.94 -8.49 1 6 0 67 236.275 6
Lo Low (pH 4.5-6) 0.45 2.8 -114.29 3 6 2 73 238.291 6

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

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