UCSF

ZINC34891393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 5.16 8.5 -48.68 1 8 -1 119 464.914 6
Lo Low (pH 4.5-6) 5.16 9.05 -15 2 8 0 117 465.922 6

Activity (Go SEA)

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