UCSF

ZINC35598246

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 24 No

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) 2.19 8.85 -48.64 1 7 -1 99 325.348 4
Mid Mid (pH 6-8) 2.01 9.27 -10.59 2 7 0 93 326.356 4

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

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