UCSF

ZINC39168092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2010 10 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) -2.07 -6.44 -30.74 5 4 1 77 148.182 1
Hi High (pH 8-9.5) -2.07 -7.81 -6.26 4 4 0 73 147.174 1

Activity (Go SEA)

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