UCSF

ZINC21638761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 0.09 2.94 -10.52 1 8 0 80 335.408 5
Mid Mid (pH 6-8) 0.09 5.2 -48.07 2 8 1 81 336.416 5

Activity (Go SEA)

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