UCSF

ZINC44515157

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 1.48 5.37 -91.19 4 4 2 50 224.352 4
Hi High (pH 8-9.5) 1.48 4.19 -35.3 3 4 1 45 223.344 4

Activity (Go SEA)

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