UCSF

ZINC09185639

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 35 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) 5.46 13.62 -51.48 0 8 -1 119 484.513 6
Mid Mid (pH 6-8) 5.90 12.76 -17.46 1 8 0 116 485.521 5

Activity (Go SEA)

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