UCSF

ZINC37835730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.96 6.37 -65.75 1 5 -1 81 290.339 4
Lo Low (pH 4.5-6) 1.96 4.85 -14.37 2 5 0 78 291.347 4

Activity (Go SEA)

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