UCSF

ZINC48087872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 17 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) -0.16 4.6 -49.53 1 7 -1 93 234.239 4
Hi High (pH 8-9.5) 0.21 5.79 -54.78 1 7 -1 85 234.239 3
Mid Mid (pH 6-8) 0.21 5.95 -18.74 2 7 0 87 235.247 3

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

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