UCSF

ZINC05304219

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 23 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) 0.29 -2.34 -33.59 2 8 -1 124 330.198 3
Mid Mid (pH 6-8) 0.29 -1.84 -113.78 1 8 -2 126 329.19 3
Lo Low (pH 4.5-6) -0.35 -0.48 -15.18 3 8 0 117 331.206 3

Activity (Go SEA)

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