UCSF

ZINC31996609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -0.09 4.33 -95.61 4 3 2 35 187.331 4
Hi High (pH 8-9.5) -0.09 2.17 -110.51 4 3 2 35 187.331 4
Lo Low (pH 4.5-6) -0.09 4.76 -186.61 5 3 3 37 188.339 4

Activity (Go SEA)

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