UCSF

ZINC28344048

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 27 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) 1.86 5.72 -71.2 4 7 1 104 378.437 5
Hi High (pH 8-9.5) 1.86 5.33 -26.12 3 7 0 102 377.429 5

Activity (Go SEA)

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