UCSF

ZINC20437897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 27 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) 2.26 7.8 -13.83 0 5 0 44 371.387 3
Mid Mid (pH 6-8) 2.26 10.21 -58.97 1 5 1 45 372.395 3

Activity (Go SEA)

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