UCSF

ZINC20125850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 1.74 8.43 -124.29 3 6 2 65 290.415 6
Hi High (pH 8-9.5) 1.74 4.83 -9.93 1 6 0 59 288.399 6
Mid Mid (pH 6-8) 1.74 7.5 -41.88 2 6 1 60 289.407 6

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

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