UCSF

ZINC20470070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 28 No

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) 4.28 9.35 -11.84 0 4 0 39 377.484 5
Lo Low (pH 4.5-6) 4.28 11.51 -39.61 1 4 1 40 378.492 5

Activity (Go SEA)

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