UCSF

ZINC36365963

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 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) 2.65 8.44 -13.04 1 5 0 60 349.365 5
Lo Low (pH 4.5-6) 2.65 8.91 -50.65 2 5 1 61 350.373 5

Activity (Go SEA)

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