UCSF

ZINC42458910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.23 3.19 -41.4 3 3 1 40 223.34 6
Hi High (pH 8-9.5) -0.23 2.76 -2.38 2 3 0 38 222.332 6
Mid Mid (pH 6-8) -0.23 4.99 -111.27 4 3 2 41 224.348 6

Activity (Go SEA)

Rings

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