UCSF

ZINC62665963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 20 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) 3.48 8.86 -8.24 2 3 0 44 267.307 2
Lo Low (pH 4.5-6) 3.48 8.7 -26.06 3 3 1 45 268.315 2

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

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