UCSF

ZINC57831017

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.29 4.96 -37.65 2 4 1 50 225.312 5
Hi High (pH 8-9.5) 1.29 3.76 -10.75 1 4 0 45 224.304 5

Activity (Go SEA)

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