UCSF

ZINC62533163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 0.53 0.96 -48.29 4 5 1 69 244.359 6
Hi High (pH 8-9.5) 0.53 -0.94 -9.58 3 5 0 68 243.351 6
Lo Low (pH 4.5-6) 0.53 2.09 -116.87 5 5 2 73 245.367 6

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

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