UCSF

ZINC42140143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) -0.42 -1.36 -16.81 5 7 0 128 263.282 3
Mid Mid (pH 6-8) 0.03 -3.06 -60.42 4 7 -1 131 262.274 3

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

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