UCSF

ZINC19883439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 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) 1.87 9.63 -72.66 1 9 0 124 399.403 8
Lo Low (pH 4.5-6) 1.87 8.81 -54.03 2 9 1 121 400.411 8

Activity (Go SEA)

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