UCSF

ZINC39048555

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 2.42 4.47 -25.29 3 2 1 40 151.233 1
Hi High (pH 8-9.5) 2.42 4.02 -4.43 2 2 0 39 150.225 1

Activity (Go SEA)

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