UCSF

ZINC20468049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 1.54 2.22 -29.35 2 4 1 43 212.317 5
Mid Mid (pH 6-8) 1.54 2.11 -8.85 1 4 0 41 211.309 5

Activity (Go SEA)

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