UCSF

ZINC35511852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 4.86 11.07 -14.89 2 5 0 67 378.52 5
Lo Low (pH 4.5-6) 4.86 11.45 -32.86 3 5 1 68 379.528 5

Activity (Go SEA)

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