UCSF

ZINC38339160

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 9 No

CAS Number: 228573-90-8

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) 1.16 4.52 -32.34 1 1 1 4 144.263 0
Mid Mid (pH 6-8) 1.16 5.06 -42.38 1 1 0 4 143.255 0

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

No pre-computed analogs available. Try a structural similarity search.