UCSF

ZINC39050175

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 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) 0.65 1.82 -47.69 3 2 1 41 137.206 1
Hi High (pH 8-9.5) 0.65 1.39 -4.41 2 2 0 39 136.198 1
Lo Low (pH 4.5-6) 0.65 2.24 -98.23 4 2 2 42 138.214 1

Activity (Go SEA)

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