UCSF

ZINC60701713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 11 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) 0.29 0.98 -39.06 3 3 1 46 162.253 7
Hi High (pH 8-9.5) 0.29 0.67 -2.31 2 3 0 44 161.245 7

Activity (Go SEA)

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