UCSF

ZINC19835020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 3.16 7.7 -51.86 2 6 1 49 375.537 5
Mid Mid (pH 6-8) 3.16 5.41 -11.14 1 6 0 48 374.529 5
Lo Low (pH 4.5-6) 3.16 7.75 -48.77 2 6 1 49 375.537 5
Lo Low (pH 4.5-6) 3.16 9.86 -129.28 3 6 2 50 376.545 5

Activity (Go SEA)

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