UCSF

ZINC41233780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 2.64 8.51 -45.17 0 3 -1 57 219.26 5
Lo Low (pH 4.5-6) 2.64 6.53 -6.6 1 3 0 54 220.268 5

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Rings

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