UCSF

ZINC39978752

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 18 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) -0.02 5.75 -50.03 1 6 1 64 255.294 6
Hi High (pH 8-9.5) -0.02 3.49 -14.33 0 6 0 63 254.286 6

Activity (Go SEA)

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