UCSF

ZINC08664063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2007 15 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) -1.54 1.08 -220 1 7 -3 133 235.108 3
Mid Mid (pH 6-8) -1.54 -0.07 -109.54 2 7 -2 130 236.116 3
Lo Low (pH 4.5-6) -1.54 -2.07 -51.38 3 7 -1 127 237.124 3

Activity (Go SEA)

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