UCSF

ZINC37162144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 14 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) 2.28 4.11 -36.27 3 3 1 46 201.334 7
Hi High (pH 8-9.5) 2.28 2.99 -7.84 2 3 0 41 200.326 7

Activity (Go SEA)

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