UCSF

ZINC17313431

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 24 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) 2.34 0.62 -14.46 4 8 0 123 326.312 5
Hi High (pH 8-9.5) 2.34 1.41 -55.8 3 8 -1 126 325.304 5
Hi High (pH 8-9.5) 2.34 1.39 -45.89 3 8 -1 126 325.304 5

Activity (Go SEA)

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