UCSF

ZINC22577531

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 15 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) 0.03 -3.17 -7.17 2 4 0 47 216.325 4
Mid Mid (pH 6-8) 0.03 -0.84 -30.56 3 4 1 48 217.333 4
Mid Mid (pH 6-8) 0.03 -0.76 -32.32 3 4 1 48 217.333 4
Lo Low (pH 4.5-6) 0.03 1.55 -100.41 4 4 2 49 218.341 4

Activity (Go SEA)

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