UCSF

ZINC62961238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 1.13 1.31 -62.48 2 5 1 63 305.464 6
Hi High (pH 8-9.5) 1.13 -0.14 -11.7 1 5 0 59 304.456 6
Lo Low (pH 4.5-6) 1.13 3.28 -153.74 3 5 2 64 306.472 6

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

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