UCSF

ZINC03870827

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 29 No

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) -1.05 -2.03 -257.99 4 15 -3 241 470.273 7
Mid Mid (pH 6-8) -1.05 -3.19 -137.85 5 15 -2 238 471.281 7

Activity (Go SEA)

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