UCSF

ZINC12381041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 30 No

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) 3.57 9.89 -92.55 0 7 -2 107 463.298 5

Activity (Go SEA)

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