UCSF

ZINC39120728

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 1.10 3.22 -30.23 1 2 1 8 143.254 1
Hi High (pH 8-9.5) 1.10 3.28 -31.55 1 2 1 8 143.254 1
Hi High (pH 8-9.5) 1.10 0.9 -1.61 0 2 0 6 142.246 1

Activity (Go SEA)

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