UCSF

ZINC37390406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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) 3.11 5.43 -11.25 3 3 0 51 249.383 3
Lo Low (pH 4.5-6) 3.11 5.9 -45.19 4 3 1 52 250.391 3

Activity (Go SEA)

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