UCSF

ZINC03831490

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 28 No

CAS Number: 599-79-1

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) 3.91 4.24 -58.87 2 9 -1 144 397.392 6
Hi High (pH 8-9.5) 3.91 4.3 -96.78 1 9 -2 146 396.384 6
Lo Low (pH 4.5-6) 3.91 4.39 -71.84 3 9 0 145 398.4 6

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

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