UCSF

ZINC39113747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 0.40 1.8 -35.08 1 3 1 20 171.264 2
Hi High (pH 8-9.5) 0.40 -0.5 -4.54 0 3 0 19 170.256 2

Activity (Go SEA)

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