UCSF

ZINC20036706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 25 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) 4.39 8.43 -9.76 0 4 0 38 337.398 3
Ref Reference (pH 7) 4.39 8.51 -8.83 0 4 0 38 337.398 3
Mid Mid (pH 6-8) 4.39 10.71 -43.29 1 4 1 39 338.406 3
Mid Mid (pH 6-8) 4.39 10.79 -41.37 1 4 1 39 338.406 3

Activity (Go SEA)

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