UCSF

ZINC21784970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 2.50 6.74 -13.14 2 5 0 75 347.346 3
Mid Mid (pH 6-8) 2.95 5.62 -42.43 1 5 -1 78 346.338 3

Activity (Go SEA)

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