UCSF

ZINC15937393

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 2.71 8.65 -36.16 3 6 1 76 364.441 9
Hi High (pH 8-9.5) 2.71 6.68 -7.76 2 6 0 74 363.433 8
Mid Mid (pH 6-8) 2.71 7.66 -39.89 3 6 1 76 364.441 8

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

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