UCSF

ZINC13645427

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) 5.48 8.74 -7.33 1 3 0 45 332.787 2
Ref Reference (pH 7) 4.99 8.22 -37.1 0 3 -1 44 331.779 3

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