UCSF

ZINC36190663

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.82 2.12 -34.78 2 3 1 28 201.334 5
Hi High (pH 8-9.5) 0.82 -0.15 -3.13 1 3 0 27 200.326 5
Hi High (pH 8-9.5) 0.82 2.28 -31.87 2 3 1 28 201.334 5

Activity (Go SEA)

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