UCSF

ZINC35712112

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 39 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) 7.05 14.15 -14.91 3 8 0 100 526.637 10

Activity (Go SEA)

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