UCSF

ZINC48894069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 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) 0.96 2.77 -36.33 3 3 1 40 209.313 5
Lo Low (pH 4.5-6) 0.96 4.76 -111.54 4 3 2 41 210.321 5

Activity (Go SEA)

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