UCSF

ZINC62877265

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 18 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) -0.33 1.26 -56.57 1 6 -1 97 253.278 3
Hi High (pH 8-9.5) -0.51 1.74 -52.81 1 6 -1 90 253.278 3
Hi High (pH 8-9.5) -0.33 -0.82 -100.25 0 6 -2 96 252.27 3

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

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