UCSF

ZINC06622150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 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) 3.21 1.75 -15.02 1 7 0 93 419.433 8
Mid Mid (pH 6-8) 2.63 1.55 -22.15 0 7 0 89 419.433 8

Activity (Go SEA)

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