UCSF

ZINC34617209

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 35 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) 5.57 13.33 -45.36 0 8 -1 97 465.537 8
Lo Low (pH 4.5-6) 5.57 13.44 -14.7 1 8 0 99 466.545 8

Activity (Go SEA)

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