UCSF

ZINC34686906

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 27 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) 4.38 8.27 -9.64 0 3 0 22 387.348 6
Lo Low (pH 4.5-6) 4.38 10.54 -53.62 1 3 1 23 388.356 6

Activity (Go SEA)

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