UCSF

ZINC06622668

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) 2.01 6.53 -66.98 0 6 -1 83 352.366 5
Mid Mid (pH 6-8) 2.01 -0.57 -15.51 1 6 0 79 353.374 5
Mid Mid (pH 6-8) 1.43 -0.71 -25.69 0 6 0 76 353.374 5

Activity (Go SEA)

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