UCSF

ZINC62948517

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 1.12 4.26 -85.27 3 3 2 24 213.369 2
Hi High (pH 8-9.5) 1.12 1.99 -36.07 2 3 1 23 212.361 2
Hi High (pH 8-9.5) 1.12 0.51 -1.16 1 3 0 19 211.353 2
Hi High (pH 8-9.5) 1.12 2.78 -31.41 2 3 1 20 212.361 2

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

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