UCSF

ZINC37145714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.46 8.75 -44.74 1 3 1 31 278.464 3
Hi High (pH 8-9.5) 3.46 6.39 -4.55 0 3 0 30 277.456 3
Mid Mid (pH 6-8) 3.46 7.83 -45.09 1 3 1 31 278.464 3

Activity (Go SEA)

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