UCSF

ZINC58344694

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 19 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) 3.14 8.73 -7.55 0 3 0 24 262.397 5
Lo Low (pH 4.5-6) 3.14 9.49 -21.16 1 3 0 25 263.405 5

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Rings

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