UCSF

ZINC72022005

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2012 20 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) 3.21 6.12 -12.49 1 5 0 57 281.352 6

Activity (Go SEA)

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