UCSF

ZINC39113654

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) -0.19 1.01 -90.59 4 3 2 36 171.288 2
Hi High (pH 8-9.5) -0.19 -0.34 -32.99 3 3 1 32 170.28 2

Activity (Go SEA)

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