UCSF

ZINC06141750

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 27 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) 4.33 9.01 -10.47 2 6 0 80 386.521 8
Hi High (pH 8-9.5) 4.33 8.65 -45.73 1 6 -1 78 385.513 8

Activity (Go SEA)

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