UCSF

ZINC62969611

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.84 1.48 -40.7 4 6 1 72 271.414 6
Hi High (pH 8-9.5) 0.84 -0.59 -7.06 3 6 0 70 270.406 6
Lo Low (pH 4.5-6) 0.84 1.32 -103.31 5 6 2 73 272.422 6

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

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