UCSF

ZINC26513965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) -0.59 0.29 -49.06 4 4 1 60 212.317 3
Mid Mid (pH 6-8) -0.59 2.13 -34.44 4 4 1 60 212.317 3
Mid Mid (pH 6-8) -0.59 2.44 -105.43 5 4 2 61 213.325 3

Activity (Go SEA)

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