UCSF

ZINC39050282

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) 0.97 2.96 -18.62 1 2 0 33 145.108 1
Hi High (pH 8-9.5) 1.17 1.57 -39.88 0 2 -1 36 144.1 1

Activity (Go SEA)

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