UCSF

ZINC20220133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 2.05 5.47 -31.94 1 3 1 11 252.426 2
Hi High (pH 8-9.5) 2.05 5.41 -33.8 1 3 1 11 252.426 2
Mid Mid (pH 6-8) 2.05 7.88 -81.17 2 3 2 12 253.434 2
Lo Low (pH 4.5-6) 2.05 7.66 -101.56 2 3 2 12 253.434 2

Activity (Go SEA)

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