UCSF

ZINC60057153

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 16 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) 0.82 0.52 -51.65 2 6 -1 99 227.192 5

Activity (Go SEA)

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