UCSF

ZINC05976767

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 30 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) 4.56 11.74 -16.52 1 5 0 66 403.526 5
Hi High (pH 8-9.5) 5.02 10.62 -51.3 0 5 -1 69 402.518 5

Activity (Go SEA)

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