UCSF

ZINC44609560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 No

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) 1.50 6.66 -38.62 1 3 1 30 288.849 5
Hi High (pH 8-9.5) 1.50 4.28 -8.33 0 3 0 29 287.841 5

Activity (Go SEA)

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