UCSF

ZINC00161618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 18 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) 1.52 8 -46.07 1 4 1 44 249.334 5
Lo Low (pH 4.5-6) 1.52 8.28 -107.86 2 4 2 45 250.342 5

Activity (Go SEA)

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