UCSF

ZINC54968940

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 3.23 10.14 -85.68 3 4 2 37 312.527 7
Hi High (pH 8-9.5) 3.23 6.77 -4.95 1 4 0 31 310.511 7
Mid Mid (pH 6-8) 3.23 8.17 -39.7 2 4 1 36 311.519 7

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

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