UCSF

ZINC16770006

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 21 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) 4.72 8.12 -9.14 1 4 0 58 298.367 2
Mid Mid (pH 6-8) 4.23 7.92 -45.28 0 4 -1 57 297.359 3

Activity (Go SEA)

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