UCSF

ZINC37043500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.27 5.6 -9.89 1 5 0 48 309.797 5
Lo Low (pH 4.5-6) 2.27 5.74 -34.27 2 5 1 50 310.805 5

Activity (Go SEA)

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