UCSF

ZINC37172539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 1.08 6.07 -46.28 0 4 -1 60 200.258 6
Lo Low (pH 4.5-6) 1.08 4.1 -7.66 1 4 0 58 201.266 6

Activity (Go SEA)

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