UCSF

ZINC37795141

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.62 7.55 -47.78 1 4 -1 69 300.256 5
Lo Low (pH 4.5-6) 2.62 5.55 -10.1 2 4 0 66 301.264 5

Activity (Go SEA)

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