UCSF

ZINC42947928

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 3.91 7.67 -53.48 3 2 1 37 316.73 5
Hi High (pH 8-9.5) 3.91 7.36 -5.36 2 2 0 35 315.722 5

Activity (Go SEA)

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