UCSF

ZINC05887231

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 3.46 6.11 -11.5 3 8 0 134 393.79 3
Lo Low (pH 4.5-6) 3.46 6.31 -61.63 4 8 1 135 394.798 3

Activity (Go SEA)

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