UCSF

ZINC36125558

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 0.54 8.4 -24.98 1 9 0 108 366.381 5
Hi High (pH 8-9.5) 0.54 8.24 -59.61 0 9 -1 106 365.373 5
Hi High (pH 8-9.5) 0.54 8.32 -25.22 1 9 0 108 366.381 5

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

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