UCSF

ZINC44516585

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 1.67 5.17 -36.02 4 3 1 42 220.34 3
Lo Low (pH 4.5-6) 1.67 5.7 -93.43 5 3 2 47 221.348 3
Lo Low (pH 4.5-6) 1.67 5.04 -82.1 5 3 2 44 221.348 3

Activity (Go SEA)

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