UCSF

ZINC59587881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 30 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) 5.37 13.88 -36.9 2 3 1 26 401.574 8
Lo Low (pH 4.5-6) 5.37 12.85 -36.11 2 3 1 29 401.574 8

Activity (Go SEA)

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