UCSF

ZINC50027280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) -2.80 2.2 -65.91 4 7 -1 137 245.255 7
Hi High (pH 8-9.5) -2.80 1.91 -100.94 3 7 -2 135 244.247 7
Lo Low (pH 4.5-6) -2.80 0.21 -59.83 5 7 0 134 246.263 7

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

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