UCSF

ZINC37832279

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.07 8.45 -53.73 0 5 -1 84 277.275 6
Lo Low (pH 4.5-6) 1.07 6.48 -13.89 1 5 0 81 278.283 6

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Rings

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