UCSF

ZINC20245344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 2.08 3.14 -111.22 0 5 -2 88 296.131 4
Mid Mid (pH 6-8) 2.08 3.07 -53.4 1 5 -1 86 297.139 4

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Rings

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