UCSF

ZINC31903361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 4.57 12.85 -16.56 0 6 0 57 433.552 8
Mid Mid (pH 6-8) 4.57 13.32 -31.69 1 6 1 58 434.56 8

Activity (Go SEA)

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