UCSF

ZINC21984098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

CAS Number: 2009-24-7

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.78 4.95 -60.24 0 4 -1 63 203.173 0
Lo Low (pH 4.5-6) 1.78 4.08 -12.95 1 4 0 60 204.181 0

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

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