UCSF

ZINC55153755

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 2.97 8.83 -45.2 2 4 1 37 380.503 5
Hi High (pH 8-9.5) 2.97 6.44 -9.19 1 4 0 36 379.495 5
Hi High (pH 8-9.5) 2.97 8.7 -52.4 2 4 1 37 380.503 5

Activity (Go SEA)

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