UCSF

ZINC05126769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 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) 2.30 -3.99 -11.51 1 6 0 77 328.777 5
Hi High (pH 8-9.5) 2.30 -3.41 -36.84 0 6 -1 79 327.769 5

Activity (Go SEA)

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