UCSF

ZINC20191145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 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) 3.25 7.89 -96.64 0 8 -2 124 420.421 7
Ref Reference (pH 7) 3.25 7.78 -96.09 0 8 -2 124 420.421 7

Activity (Go SEA)

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