UCSF

ZINC57814796

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 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) 4.96 10.07 -60.62 2 2 0 16 310.248 4
Mid Mid (pH 6-8) 4.96 9.3 -3.54 1 2 0 15 309.24 4

Activity (Go SEA)

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