UCSF

ZINC69520685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 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) 0.06 8.5 -49.85 3 8 1 90 311.373 5
Mid Mid (pH 6-8) 0.06 7.12 -11.05 2 8 0 85 310.365 5
Mid Mid (pH 6-8) 0.06 7.28 -33.28 3 8 1 87 311.373 5
Lo Low (pH 4.5-6) 0.06 8.66 -95.02 4 8 2 91 312.381 5

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

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