UCSF

ZINC00541343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.36 11.29 -18.91 0 8 0 102 334.339 3
Mid Mid (pH 6-8) 3.37 11.82 -41.78 2 8 1 106 335.347 3

Activity (Go SEA)

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