UCSF

ZINC43379994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 27 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) -0.41 -0.46 -27.51 3 9 0 139 376.365 3
Mid Mid (pH 6-8) 0.05 -2.86 -71.33 2 9 -1 142 375.357 3

Activity (Go SEA)

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