UCSF

ZINC37299566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.27 3.91 -108.84 5 5 2 70 281.4 8
Mid Mid (pH 6-8) 1.27 3.53 -36.38 4 5 1 69 280.392 8

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Rings

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