UCSF

ZINC33743048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 40 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) 5.09 15.46 -12.87 0 6 0 53 531.656 6
Mid Mid (pH 6-8) 5.09 17.04 -47.12 1 6 1 54 532.664 6

Activity (Go SEA)

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