UCSF

ZINC35991798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 34 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) 4.93 11.52 -8.83 1 8 0 88 469.582 11
Mid Mid (pH 6-8) 4.93 13.33 -40.6 2 8 1 89 470.59 11

Activity (Go SEA)

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