UCSF

ZINC12233485

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 23 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) 0.26 -2.97 -18.45 2 8 0 100 315.333 5

Activity (Go SEA)

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