UCSF

ZINC14291445

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 22 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) 3.75 6.53 -12.42 1 5 0 72 339.8 6
Hi High (pH 8-9.5) 3.75 6.6 -45.03 0 5 -1 75 338.792 6

Activity (Go SEA)

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