UCSF

ZINC35212815

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 24 Yes

CAS Number: 942289-87-4

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) -0.87 4.3 -27.94 3 5 1 72 323.372 1
Mid Mid (pH 6-8) 2.71 6.1 -11.81 2 5 0 69 322.364 2

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

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