UCSF

ZINC35633782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) 3.30 6.7 -47.44 2 4 1 54 313.487 8
Hi High (pH 8-9.5) 3.30 5.6 -8.31 1 4 0 49 312.479 8

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Rings

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