UCSF

ZINC03073295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 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) 2.78 4.2 -16.71 1 8 0 114 310.269 4
Mid Mid (pH 6-8) 2.85 1.57 -44.57 0 8 -1 120 309.261 4

Activity (Go SEA)

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