UCSF

ZINC39957001

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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) 3.71 9.57 -49.4 1 5 -1 78 377.214 7

Activity (Go SEA)

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