UCSF

ZINC39133644

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 No

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) 2.73 3.84 -7.27 1 4 0 66 167.164 2
Hi High (pH 8-9.5) 2.73 4.6 -38.96 0 4 -1 69 166.156 2

Activity (Go SEA)

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