UCSF

ZINC17248402

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 26 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) 3.17 6.47 -21.74 1 7 0 83 371.418 6
Hi High (pH 8-9.5) 3.24 5.57 -48.39 0 7 -1 89 370.41 6

Activity (Go SEA)

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