UCSF

ZINC38192998

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 15 Yes

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) 1.97 6.61 -43.68 0 4 -1 66 213.253 3
Lo Low (pH 4.5-6) 1.97 4.69 -6.4 1 4 0 64 214.261 3

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

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