UCSF

ZINC37134599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 4.19 5.18 -4.98 2 3 0 41 249.354 3
Lo Low (pH 4.5-6) 4.19 4.7 -37.39 3 3 1 46 250.362 3

Activity (Go SEA)

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