UCSF

ZINC37290145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) -0.82 -1.41 -54.43 5 6 1 95 256.257 5
Hi High (pH 8-9.5) -0.82 -1.79 -10.31 4 6 0 93 255.249 5
Hi High (pH 8-9.5) -0.64 -2.73 -59.21 4 6 0 101 255.249 5

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Rings

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