UCSF

ZINC37808904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.78 7.91 -43.33 3 3 1 48 309.861 4
Mid Mid (pH 6-8) 3.78 7.68 -5.55 2 3 0 46 308.853 4

Activity (Go SEA)

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