UCSF

ZINC05329132

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 21 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) -0.11 -6.06 -23.97 3 8 0 128 309.303 4
Hi High (pH 8-9.5) -0.11 -5.48 -54.72 2 8 -1 131 308.295 4
Mid Mid (pH 6-8) 0.35 -2.09 -44.05 2 8 -1 132 308.295 4

Activity (Go SEA)

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