UCSF

ZINC35311360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 22 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) 2.75 7.41 -11.44 0 5 0 43 318.446 6
Mid Mid (pH 6-8) 2.75 9.68 -44.22 1 5 1 44 319.454 6

Activity (Go SEA)

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