UCSF

ZINC37039477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.85 0.12 -48.91 3 5 1 60 208.289 3
Lo Low (pH 4.5-6) -0.85 2.33 -125.21 4 5 2 61 209.297 3

Activity (Go SEA)

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