UCSF

ZINC20245374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.26 2.38 -107.74 0 5 -2 88 281.211 5
Mid Mid (pH 6-8) 1.26 2.35 -50.27 1 5 -1 86 282.219 5

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Rings

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