UCSF

ZINC49337736

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 15 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) -1.94 2.75 -35.88 2 6 0 96 211.221 5
Hi High (pH 8-9.5) -1.94 1.6 -50.06 1 6 -1 91 210.213 5

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

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