UCSF

ZINC75629700

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 18 Yes

Other Names:

MFCD09835257

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) 5.27 9.61 -3.16 0 1 0 3 308.263 0
Mid Mid (pH 6-8) 5.27 10.52 -32.45 1 1 1 4 309.271 0

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

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