UCSF

ZINC37283158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.79 8 -37.8 2 5 1 76 291.371 9
Mid Mid (pH 6-8) 2.79 7.05 -9.32 1 5 0 71 290.363 9

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Rings

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