UCSF

ZINC22796286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 3.73 11.43 -92.41 2 4 2 35 326.469 3
Mid Mid (pH 6-8) 3.74 7.67 -7.97 0 4 0 32 324.453 3

Activity (Go SEA)

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