UCSF

ZINC41681804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

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) 0.45 3.56 -43.65 4 7 1 93 302.424 8
Hi High (pH 8-9.5) 0.45 1.11 -9.5 3 7 0 92 301.416 8

Activity (Go SEA)

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