UCSF

ZINC13827037

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 18 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) 0.12 5.28 -60.66 1 8 -1 113 251.222 4
Mid Mid (pH 6-8) 0.12 5.77 -84.38 2 8 0 114 252.23 4

Activity (Go SEA)

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