UCSF

ZINC20146267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 3.03 6.48 -37.2 3 3 1 37 277.432 6
Hi High (pH 8-9.5) 3.03 5.46 -43.67 3 3 1 40 277.432 6

Activity (Go SEA)

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