UCSF

ZINC54765867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 0.24 1.34 -40.01 2 5 1 55 237.327 5
Hi High (pH 8-9.5) 0.24 0.21 -5.36 1 5 0 50 236.319 5
Lo Low (pH 4.5-6) 0.24 3.13 -118.52 3 5 2 56 238.335 5

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

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