UCSF

ZINC35128093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 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) 2.03 5.8 -9.69 1 4 0 39 271.364 3
Mid Mid (pH 6-8) 2.03 8.15 -45.49 2 4 1 41 272.372 3

Activity (Go SEA)

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