UCSF

ZINC13829475

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 24 Yes

CAS Number: 83219-99-2

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) 2.12 8.34 -43.49 1 5 -1 91 323.324 4
Mid Mid (pH 6-8) 2.12 6.36 -23.02 2 5 0 88 324.332 4
Lo Low (pH 4.5-6) 2.12 7.54 -19.11 2 5 0 88 324.332 4

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

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