UCSF

ZINC42133306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 15 No

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 4.86 -9.68 0 3 0 36 204.273 6
Lo Low (pH 4.5-6) 2.08 7.22 -51.79 1 3 1 37 205.281 6

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Rings

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