UCSF

ZINC32917302

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 18 No

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) 0.94 1.52 -15.64 5 6 0 100 250.302 4
Lo Low (pH 4.5-6) 0.94 1.29 -40.7 6 6 1 101 251.31 4
Lo Low (pH 4.5-6) 0.94 1.38 -37.69 6 6 1 101 251.31 4

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

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