UCSF

ZINC33670477

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 No

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) 4.26 11.73 -43.03 0 5 -1 74 400.454 6
Mid Mid (pH 6-8) 4.26 10.6 -17.5 1 5 0 71 401.462 6

Activity (Go SEA)

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