UCSF

ZINC44651350

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 11 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) -1.19 -1.05 -95.77 6 4 2 73 161.249 6
Hi High (pH 8-9.5) -1.19 -2.41 -50.1 5 4 1 69 160.241 6

Activity (Go SEA)

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