UCSF

ZINC20200903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 3.15 9.22 -113.71 3 2 2 21 266.404 6
Mid Mid (pH 6-8) 3.15 8.02 -31.5 2 2 1 16 265.396 6

Activity (Go SEA)

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