UCSF

ZINC62031932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 1.18 6.91 -164.61 6 4 3 60 255.43 6
Hi High (pH 8-9.5) 1.18 4.68 -75.85 5 4 2 59 254.422 6

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

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