UCSF

ZINC21539994

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 25 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) 2.87 6.68 -31.78 2 5 1 50 342.463 6
Mid Mid (pH 6-8) 2.87 6.36 -8.57 1 5 0 49 341.455 6
Lo Low (pH 4.5-6) 2.87 8.66 -43.39 2 5 1 50 342.463 6

Activity (Go SEA)

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