UCSF

ZINC42781945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.31 5.58 -31.18 2 2 1 20 237.289 5
Lo Low (pH 4.5-6) 2.31 7.26 -106.82 3 2 2 21 238.297 5

Activity (Go SEA)

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