UCSF

ZINC62962776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) -1.34 -1.21 -106.56 4 6 2 73 306.476 5
Hi High (pH 8-9.5) -1.34 -4.06 -10.44 2 6 0 70 304.46 5
Hi High (pH 8-9.5) -1.34 -2.04 -42.27 3 6 1 71 305.468 5

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

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