UCSF

ZINC37249295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.36 6.92 -41.43 1 4 1 49 232.307 4
Mid Mid (pH 6-8) 0.36 4.72 -13.08 0 4 0 47 231.299 4

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Rings

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