UCSF

ZINC19406919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.55 4.1 -47.9 2 4 1 46 263.148 4
Hi High (pH 8-9.5) 1.55 1.56 -9.22 1 4 0 45 262.14 4

Activity (Go SEA)

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