UCSF

ZINC20245226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 Yes

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) 0.25 2.28 -52.2 0 6 -1 81 297.356 5
Mid Mid (pH 6-8) 0.25 4.61 -78.5 1 6 0 82 298.364 5

Activity (Go SEA)

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