UCSF

ZINC12314333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 26 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) 2.54 -0.39 -11.47 1 9 0 98 356.434 6

Activity (Go SEA)

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