UCSF

ZINC53303334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 19 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) 3.51 9.61 -29.12 2 2 1 29 255.385 5
Hi High (pH 8-9.5) 3.51 8.58 -4.12 1 2 0 25 254.377 5
Lo Low (pH 4.5-6) 3.51 9.3 -102.95 3 2 2 31 256.393 5

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

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