UCSF

ZINC44512280

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 2.25 6.97 -104.68 5 3 2 48 324.266 3
Hi High (pH 8-9.5) 2.25 4.73 -46.07 4 3 1 47 323.258 3

Activity (Go SEA)

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