UCSF

ZINC44646729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 Yes

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) 1.29 5 -88.54 4 4 2 50 231.384 10
Hi High (pH 8-9.5) 1.29 3.64 -39.8 3 4 1 46 230.376 10

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