UCSF

ZINC43434647

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 No

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) 0.15 0.94 -13.53 2 6 0 85 242.275 6
Mid Mid (pH 6-8) 0.15 1.91 -48.53 3 6 1 89 243.283 6
Lo Low (pH 4.5-6) 0.33 -0.63 -38.66 2 6 0 95 242.275 6

Activity (Go SEA)

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