UCSF

ZINC19371046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 3.58 9.52 -113.12 3 2 2 21 289.25 5
Mid Mid (pH 6-8) 3.58 8.23 -29.27 2 2 1 16 288.242 5
Mid Mid (pH 6-8) 3.58 7.72 -38.48 2 2 1 20 288.242 5

Activity (Go SEA)

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