UCSF

ZINC08701436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 16 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) 3.62 6.12 -5.12 3 3 0 55 235.718 3
Lo Low (pH 4.5-6) 3.62 6.11 -31.33 4 3 1 56 236.726 3

Activity (Go SEA)

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