UCSF

ZINC39442683

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 24 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) 3.39 6.36 -34.57 2 4 1 37 335.512 8
Hi High (pH 8-9.5) 3.39 4.58 -4.9 1 4 0 36 334.504 8
Mid Mid (pH 6-8) 3.39 6.84 -41.71 2 4 1 37 335.512 8

Activity (Go SEA)

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