UCSF

ZINC69237581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 2.25 8.01 -123.96 4 2 2 32 246.398 5
Hi High (pH 8-9.5) 2.25 5.92 -1.93 2 2 0 29 244.382 5
Mid Mid (pH 6-8) 2.25 6.19 -46.21 3 2 1 31 245.39 5
Mid Mid (pH 6-8) 2.25 7.83 -33.35 3 2 1 30 245.39 5

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

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