UCSF

ZINC44513807

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) 2.09 7.63 -108.56 4 2 2 32 270.417 5
Hi High (pH 8-9.5) 2.09 5.4 -48.03 3 2 1 31 269.409 5

Activity (Go SEA)

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