UCSF

ZINC09847861

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 34 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) 3.46 11.23 -16.34 1 6 0 67 476.577 6
Lo Low (pH 4.5-6) 3.46 11.69 -48.55 2 6 1 68 477.585 6

Activity (Go SEA)

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