UCSF

ZINC37172665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.25 6.85 -41.78 3 2 1 31 318.254 6
Mid Mid (pH 6-8) 3.25 8.08 -125.45 4 2 2 32 319.262 6

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Rings

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