UCSF

ZINC26019499

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 27 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) 4.78 11.87 -41.79 3 3 1 45 356.493 6
Mid Mid (pH 6-8) 4.78 10.47 -7.93 2 3 0 41 355.485 6

Activity (Go SEA)

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