UCSF

ZINC62964799

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 0.10 5.46 -36.12 3 3 1 34 260.405 2
Hi High (pH 8-9.5) 0.10 3.06 -2.43 2 3 0 32 259.397 2
Mid Mid (pH 6-8) 0.10 5.86 -100.13 4 3 2 35 261.413 2

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

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