UCSF

ZINC06704893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 31 Yes

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) 5.51 14.03 -11.12 0 5 0 49 426.58 6
Mid Mid (pH 6-8) 5.51 14.35 -38.69 1 5 1 51 427.588 6

Activity (Go SEA)

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