UCSF

ZINC86865004

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 33 No

CAS Number: 21637-25-2

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) -0.36 -8.59 -22.99 8 12 0 211 464.379 4
Ref Reference (pH 7) -0.36 -9.16 -25.54 8 12 0 211 464.379 4
Hi High (pH 8-9.5) -0.36 -8.14 -73.3 7 12 -1 213 463.371 4

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

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