UCSF

ZINC39294717

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 1.08 2.78 -9.17 1 4 0 50 271.316 1
Mid Mid (pH 6-8) 1.08 5.26 -59.69 2 4 0 51 272.324 1

Activity (Go SEA)

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