UCSF

ZINC37096479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 3.37 6.2 -10.27 1 3 0 41 235.327 4
Hi High (pH 8-9.5) 3.37 7.19 -60.99 0 3 -1 43 234.319 4

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Rings

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