UCSF

ZINC19863974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 11 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) 0.16 2.02 -97.97 4 3 2 41 162.277 5
Hi High (pH 8-9.5) 0.16 0.52 -29.83 3 3 1 37 161.269 5

Activity (Go SEA)

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