UCSF

ZINC29069864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 22 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) 2.19 2.43 -23.1 3 6 0 95 318.354 5
Hi High (pH 8-9.5) 2.19 3.71 -141.05 1 6 -2 100 316.338 5
Hi High (pH 8-9.5) 2.19 2.5 -68.87 2 6 -1 98 317.346 5

Activity (Go SEA)

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