UCSF

ZINC15937409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 32 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) 4.32 13.67 -37.95 3 6 1 76 436.576 12
Hi High (pH 8-9.5) 4.32 12.97 -41.26 3 6 1 76 436.576 11
Hi High (pH 8-9.5) 4.32 12.25 -8.65 2 6 0 74 435.568 11

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

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