UCSF

ZINC48630850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 12 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) 0.08 3.53 -33.3 3 4 1 58 167.236 4
Hi High (pH 8-9.5) 0.08 2.25 -6.57 2 4 0 54 166.228 4
Mid Mid (pH 6-8) 0.08 3.4 -31.96 2 4 0 56 166.228 4

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

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