UCSF

ZINC44271023

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.55 6.73 -114.33 4 4 2 48 304.36 5
Mid Mid (pH 6-8) 1.55 4.77 -49.68 3 4 1 47 303.352 5

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