UCSF

ZINC62820651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 17 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) 4.02 8.89 -9.98 1 2 0 29 242.709 2
Lo Low (pH 4.5-6) 4.02 8.86 -30.85 2 2 1 30 243.717 2

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

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