UCSF

ZINC39899450

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.49 6.25 -53.89 2 5 -1 89 302.35 6
Lo Low (pH 4.5-6) 1.49 4.63 -12.01 3 5 0 87 303.358 6

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