UCSF

ZINC36365209

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 0.02 9.61 -79.91 1 9 -1 126 399.427 8
Mid Mid (pH 6-8) 0.02 7.58 -118.88 0 9 -2 125 398.419 8

Activity (Go SEA)

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