UCSF

ZINC29042196

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 14 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) -2.67 -10.05 -14.34 5 7 0 113 204.182 0

Activity (Go SEA)

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