UCSF

ZINC43389114

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 4.48 9.56 -60.45 2 1 1 17 300.731 4
Mid Mid (pH 6-8) 4.48 8.46 -8.16 1 1 0 12 299.723 4

Activity (Go SEA)

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