UCSF

ZINC45147296

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.84 8.09 -122.78 3 2 2 21 263.212 6
Hi High (pH 8-9.5) 2.84 4.4 -2.81 1 2 0 15 261.196 6
Hi High (pH 8-9.5) 2.84 6.73 -42.07 2 2 1 16 262.204 6
Mid Mid (pH 6-8) 2.84 5.77 -40.23 2 2 1 20 262.204 6

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