UCSF

ZINC36154318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.06 5.16 -21.07 2 5 0 67 363.87 7
Hi High (pH 8-9.5) 3.06 5.62 -12.11 2 5 0 67 363.87 7
Hi High (pH 8-9.5) 3.52 4.64 -46.33 2 5 0 75 363.87 7
Mid Mid (pH 6-8) 3.06 6.56 -62.49 3 5 1 72 364.878 7

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