UCSF

ZINC00595962

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 20 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) 3.38 0.75 -50.4 1 4 -1 69 294.396 6
Hi High (pH 8-9.5) 3.38 -0.2 -96.96 1 4 -2 69 293.388 6

Activity (Go SEA)

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