UCSF

ZINC49546504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 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) 0.76 1.79 -19.22 2 7 0 92 347.415 4
Hi High (pH 8-9.5) 1.22 1.1 -55.48 1 7 -1 95 346.407 4
Mid Mid (pH 6-8) 0.76 4.05 -46.6 3 7 1 93 348.423 4

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

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