UCSF

ZINC09151966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 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) 2.15 -4.69 -19.36 2 8 0 106 413.455 7
Hi High (pH 8-9.5) 2.15 -4.12 -51.07 1 8 -1 108 412.447 7

Activity (Go SEA)

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