UCSF

ZINC49573346

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.82 6.35 -33.2 1 5 1 57 281.376 8
Mid Mid (pH 6-8) 2.82 8.42 -109.17 2 5 2 58 282.384 8
Mid Mid (pH 6-8) 2.82 5.29 -8.91 0 5 0 56 280.368 8
Lo Low (pH 4.5-6) 2.82 7.28 -38.51 1 5 1 57 281.376 8

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

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