UCSF

ZINC20520860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.44 3.11 -14.27 4 4 0 75 341.592 2
Mid Mid (pH 6-8) 3.44 3.77 -43.89 3 4 -1 78 340.584 2

Activity (Go SEA)

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