UCSF

ZINC06623302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 4.07 7.8 -37.92 0 8 -1 113 393.441 10
Mid Mid (pH 6-8) 4.07 7.8 -12.01 1 8 0 110 394.449 10

Activity (Go SEA)

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