UCSF

ZINC34667638

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.25 9.01 -15.97 1 7 0 75 408.502 5
Mid Mid (pH 6-8) 3.25 9.36 -47.03 2 7 1 76 409.51 5

Activity (Go SEA)

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