UCSF

ZINC09184753

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 33 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) 3.62 5.66 -17.05 3 8 0 108 451.523 9
Hi High (pH 8-9.5) 3.62 6.44 -48.68 2 8 -1 111 450.515 9

Activity (Go SEA)

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