UCSF

ZINC37824107

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.08 2.81 -43.91 4 4 1 68 251.35 5
Mid Mid (pH 6-8) 1.08 2.48 -9.09 3 4 0 67 250.342 5

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Rings

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