UCSF

ZINC39051638

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 1.12 2.04 -25.16 5 3 1 66 138.194 0
Hi High (pH 8-9.5) 1.12 1.56 -5.43 4 3 0 65 137.186 0

Activity (Go SEA)

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