UCSF

ZINC38539490

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 1.87 6.15 -42.94 3 2 1 31 219.352 3
Lo Low (pH 4.5-6) 1.87 6.79 -111.15 4 2 2 32 220.36 3

Activity (Go SEA)

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