UCSF

ZINC59070858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 34 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) 0.19 4.37 -58.78 4 12 -1 194 499.51 7
Hi High (pH 8-9.5) 0.19 5.36 -107.76 3 12 -2 197 498.502 7

Activity (Go SEA)

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