UCSF

ZINC59268735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 19 No

CAS Number: 21416-67-1

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) -0.78 -2.58 -69.1 3 8 1 100 269.281 4
Mid Mid (pH 6-8) -0.78 -4.89 -18.04 2 8 0 99 268.273 4

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

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