UCSF

ZINC21819168

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.97 6.74 -41.83 0 4 -1 72 364.244 3
Mid Mid (pH 6-8) 3.97 6.66 -10.63 1 4 0 70 365.252 3

Activity (Go SEA)

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