UCSF

ZINC09410802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 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) 2.06 5.22 -43.26 1 8 -1 108 446.863 8
Mid Mid (pH 6-8) 2.50 3.8 -27.72 2 8 0 106 447.871 7

Activity (Go SEA)

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