UCSF

ZINC06813909

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 3.15 9.21 -12.47 1 5 0 71 377.371 5
Mid Mid (pH 6-8) 2.57 9.93 -16.33 0 5 0 68 377.371 5

Activity (Go SEA)

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