UCSF

ZINC37814910

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.25 7.21 -37.66 3 3 1 48 342.301 6
Hi High (pH 8-9.5) 3.25 6.96 -7.24 2 3 0 46 341.293 6

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Rings

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