UCSF

ZINC60275236

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 21 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) 3.48 5.94 -107.51 5 3 2 47 297.531 7
Hi High (pH 8-9.5) 3.48 5.96 -37.35 4 3 1 43 296.523 7
Lo Low (pH 4.5-6) 3.48 8.5 -226.83 6 3 3 49 298.539 7

Activity (Go SEA)

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