UCSF

ZINC68890535

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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) 0.92 2.35 -39.43 2 3 1 29 213.345 3
Hi High (pH 8-9.5) 0.92 1.07 -1.78 1 3 0 24 212.337 3
Mid Mid (pH 6-8) 0.92 4.29 -107.16 3 3 2 30 214.353 3
Lo Low (pH 4.5-6) 0.92 2.97 -31.01 2 3 1 26 213.345 3

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

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