UCSF

ZINC14257158

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 26 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) 5.61 9.57 -9.08 1 4 0 55 367.47 5
Hi High (pH 8-9.5) 5.61 9.66 -47.56 0 4 -1 57 366.462 5

Activity (Go SEA)

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