UCSF

ZINC06622551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 26 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) 3.14 0.72 -13.21 1 5 0 70 369.442 5
Mid Mid (pH 6-8) 2.56 0.66 -20.96 0 5 0 67 369.442 5

Activity (Go SEA)

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