UCSF

ZINC32110980

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 3.74 8.73 -48.97 2 2 1 26 260.332 6
Hi High (pH 8-9.5) 3.74 7.31 -4.76 1 2 0 21 259.324 6

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