UCSF

ZINC39917125

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 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) 4.58 12.08 -46.58 1 5 1 35 428 8
Mid Mid (pH 6-8) 4.58 9.73 -10.58 0 5 0 34 426.992 8
Mid Mid (pH 6-8) 4.58 12.86 -91.08 2 5 2 36 429.008 8
Mid Mid (pH 6-8) 4.58 11.97 -43.9 1 5 1 35 428 8

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