UCSF

ZINC03801094

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 33 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) 3.87 -1.04 -13.03 1 8 0 83 469.563 10
Mid Mid (pH 6-8) 0.33 -0.76 -41.77 2 8 1 85 470.571 10

Activity (Go SEA)

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