UCSF

ZINC17207192

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 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) 3.51 7.83 -19.66 1 6 0 73 355.419 5
Hi High (pH 8-9.5) 3.58 6.93 -48.8 0 6 -1 80 354.411 5

Activity (Go SEA)

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