UCSF

ZINC36138333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 0.92 5.69 -45.48 1 6 -1 96 286.21 6
Lo Low (pH 4.5-6) 0.92 3.71 -11.77 2 6 0 93 287.218 6

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Rings

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