UCSF

ZINC36202333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.52 8.2 -45.52 0 4 -1 66 249.286 7
Lo Low (pH 4.5-6) 2.52 6.22 -8.28 1 4 0 64 250.294 7

Activity (Go SEA)

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