UCSF

ZINC44649949

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 2.29 6.89 -39.65 2 4 1 46 285.795 8
Hi High (pH 8-9.5) 2.29 5.53 -7.47 1 4 0 42 284.787 8

Activity (Go SEA)

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