UCSF

ZINC42449768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.22 4.37 -40.26 2 3 1 33 211.329 7
Lo Low (pH 4.5-6) 1.22 6.72 -115.58 3 3 2 34 212.337 7

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Rings

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