UCSF

ZINC40159121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 24 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) 3.62 10.74 -19.84 0 5 0 56 327.38 5

Activity (Go SEA)

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