UCSF

ZINC23017700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 35 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) 6.18 15.26 -9.61 1 5 0 59 489.015 8
Mid Mid (pH 6-8) 6.18 16.32 -48.37 2 5 1 63 490.023 8

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

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