UCSF

ZINC19230219

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) 5.75 11.35 -44.64 2 1 1 17 309.26 4
Mid Mid (pH 6-8) 5.75 10.25 -3.73 1 1 0 12 308.252 4

Activity (Go SEA)

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