UCSF

ZINC43262815

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.77 4.95 -30.5 4 3 1 51 376.384 7
Hi High (pH 8-9.5) 3.77 3.54 -42.02 4 3 1 51 376.384 7
Hi High (pH 8-9.5) 3.77 3.23 -2.7 3 3 0 49 375.376 7
Mid Mid (pH 6-8) 3.77 5.24 -109.34 5 3 2 52 377.392 7

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