UCSF

ZINC40176713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.85 3.39 -14.93 2 7 0 96 376.434 4
Hi High (pH 8-9.5) 2.85 4.4 -54.68 1 7 -1 99 375.426 4

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