UCSF

ZINC02082147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 29 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) 4.77 7.11 -38.2 4 6 1 105 390.463 6
Hi High (pH 8-9.5) 5.23 6.24 -36.13 3 6 0 108 389.455 6
Mid Mid (pH 6-8) 4.77 -3.85 -16.51 3 6 0 102 389.455 6
Mid Mid (pH 6-8) 5.23 -4.57 -17.8 3 6 0 103 389.455 6

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

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