UCSF

ZINC09185142

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 33 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) 4.92 12.53 -59.38 0 5 -1 73 459.953 6
Mid Mid (pH 6-8) 5.37 0.86 -20.79 1 5 0 70 460.961 5
Lo Low (pH 4.5-6) 5.37 11.41 -44.71 2 5 1 72 461.969 5

Activity (Go SEA)

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