UCSF

ZINC09858507

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 14 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) -1.37 -3.72 -7.88 2 5 0 71 193.206 3
Lo Low (pH 4.5-6) -1.37 -3.61 -38.39 3 5 1 72 194.214 3

Activity (Go SEA)

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