UCSF

ZINC20184820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.23 0.94 -53.2 0 6 -1 81 263.339 6
Mid Mid (pH 6-8) -0.23 3.27 -80.23 1 6 0 82 264.347 6

Activity (Go SEA)

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