UCSF

ZINC52221142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 15 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) 1.68 2.27 -7.52 1 4 0 51 227.626 2

Activity (Go SEA)

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