UCSF

ZINC06569866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 26 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) 3.43 8.96 -14.62 0 6 0 69 364.43 5
Lo Low (pH 4.5-6) 3.43 9.26 -54.98 1 6 1 71 365.438 5

Activity (Go SEA)

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