UCSF

ZINC43413637

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

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) 1.10 5.11 -60.03 3 5 0 86 268.357 5
Lo Low (pH 4.5-6) 1.10 3.13 -41.98 4 5 1 83 269.365 5

Activity (Go SEA)

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