UCSF

ZINC19516017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 No

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) 0.61 2.33 -47.79 4 3 1 53 163.2 2
Hi High (pH 8-9.5) 0.61 2.5 -5.87 3 3 0 51 162.192 2

Activity (Go SEA)

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