UCSF

ZINC37220759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.54 8.44 -77.37 3 3 2 21 269.477 7
Lo Low (pH 4.5-6) 2.54 9.51 -188.69 4 3 3 25 270.485 7

Activity (Go SEA)

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