UCSF

ZINC28824324

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) 4.22 12.34 -9.88 2 8 0 84 378.864 8
Lo Low (pH 4.5-6) 4.22 12.75 -23.66 3 8 1 86 379.872 8
Lo Low (pH 4.5-6) 4.22 12.75 -25.23 3 8 1 86 379.872 8

Activity (Go SEA)

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