UCSF

ZINC20014588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 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) 2.96 5.58 -3.78 1 2 0 25 184.67 4
Lo Low (pH 4.5-6) 2.96 5.94 -30.46 2 2 1 26 185.678 4

Activity (Go SEA)

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