UCSF

ZINC44510828

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.36 5.73 -45.79 1 5 -1 74 269.708 5
Lo Low (pH 4.5-6) 1.36 6.1 -36.98 2 5 0 76 270.716 5

Activity (Go SEA)

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