UCSF

ZINC19499938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 3.27 7.94 -33.77 1 3 1 17 277.432 6
Hi High (pH 8-9.5) 3.27 5.94 -3.06 0 3 0 16 276.424 6
Mid Mid (pH 6-8) 3.27 8.26 -37.25 1 3 1 17 277.432 6

Activity (Go SEA)

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