UCSF

ZINC40305136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 17 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) -0.03 2.9 -15.36 2 5 0 67 255.343 4
Lo Low (pH 4.5-6) -0.03 2.85 -38.48 3 5 1 68 256.351 4

Activity (Go SEA)

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