UCSF

ZINC39881799

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 5.59 14.29 -13.18 0 4 0 37 438.571 5
Lo Low (pH 4.5-6) 5.59 15.89 -50.63 1 4 1 38 439.579 5

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