UCSF

ZINC62967749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 2.14 6.36 -78.42 3 3 2 24 255.45 6
Hi High (pH 8-9.5) 2.14 3.94 -33.56 2 3 1 23 254.442 6
Lo Low (pH 4.5-6) 2.14 8.82 -184.58 4 3 3 25 256.458 6

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

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