UCSF

ZINC40442549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 9 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) 0.19 1.53 -49.34 2 3 1 43 125.151 0
Hi High (pH 8-9.5) 0.19 0.16 -6.58 1 3 0 38 124.143 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.