UCSF

ZINC06786311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 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) 3.72 8.31 -53.97 0 5 -1 70 405.257 6
Mid Mid (pH 6-8) 4.16 0.16 -20.61 1 5 0 66 406.265 5

Activity (Go SEA)

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