UCSF

ZINC68573813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2011 27 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) 4.06 7.31 -8.22 1 4 0 51 420.178 7
Hi High (pH 8-9.5) 4.25 5.05 -38.92 0 4 -1 58 419.17 7

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

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