UCSF

ZINC69951460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 26 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) 3.42 7.33 -21.7 1 5 0 62 369.49 4
Hi High (pH 8-9.5) 3.42 6.94 -40.29 0 5 -1 64 368.482 4
Mid Mid (pH 6-8) 3.42 9.5 -60.27 2 5 1 63 370.498 4
Lo Low (pH 4.5-6) 3.42 9.1 -35.94 1 5 0 65 369.49 4

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

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