UCSF

ZINC44888584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 0.48 1.68 -38.39 1 8 -1 100 290.332 3
Lo Low (pH 4.5-6) 0.48 1.94 -12.31 2 8 0 101 291.34 3

Activity (Go SEA)

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