UCSF

ZINC19844099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) -0.86 -1.25 -44.36 4 4 1 64 210.301 6
Hi High (pH 8-9.5) -0.86 -1.72 -6.07 3 4 0 62 209.293 6
Mid Mid (pH 6-8) -0.86 1.03 -34.09 4 4 1 64 210.301 6

Activity (Go SEA)

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