UCSF

ZINC21644991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 3.37 11.68 -48.18 1 6 1 60 377.468 6
Mid Mid (pH 6-8) 3.37 9.37 -12.8 0 6 0 59 376.46 6

Activity (Go SEA)

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