UCSF

ZINC19872116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 2.20 3.14 -6.97 1 5 0 43 328.84 8
Mid Mid (pH 6-8) 2.20 4.55 -54.47 2 5 1 48 329.848 8
Lo Low (pH 4.5-6) 2.20 5.46 -43.65 2 5 1 44 329.848 8

Activity (Go SEA)

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