UCSF

ZINC62613525

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 14 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) 2.34 4.76 -42.19 2 2 1 26 202.224 4
Hi High (pH 8-9.5) 2.34 3.49 -6.87 1 2 0 21 201.216 4

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Rings

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