UCSF

ZINC35609652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 19 No

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) 1.33 2.76 -7.94 1 7 0 85 286.719 4
Mid Mid (pH 6-8) 1.33 5.06 -35.92 2 7 1 87 287.727 4

Activity (Go SEA)

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