UCSF

ZINC49950500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 26 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) 3.66 10.23 -11.58 0 4 0 46 345.446 2
Lo Low (pH 4.5-6) 3.66 10.68 -46.49 1 4 1 47 346.454 2

Activity (Go SEA)

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