UCSF

ZINC19839908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 3.39 6.63 -6.36 1 3 0 41 247.338 1
Hi High (pH 8-9.5) 3.39 7.33 -57.15 0 3 -1 43 246.33 1

Activity (Go SEA)

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