UCSF

ZINC18190396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 30 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) 2.82 11.23 -19.36 1 8 0 91 403.442 5
Mid Mid (pH 6-8) 3.00 11.51 -39.15 2 8 1 96 404.45 5

Activity (Go SEA)

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