UCSF

ZINC23379220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 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) 4.71 11.2 -9.9 0 3 0 24 346.474 5
Mid Mid (pH 6-8) 4.71 13.44 -49.94 1 3 1 25 347.482 5

Activity (Go SEA)

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