UCSF

ZINC19842524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.56 5.39 -33.94 1 3 1 21 209.313 3
Hi High (pH 8-9.5) 1.56 3.08 -3.64 0 3 0 20 208.305 3
Mid Mid (pH 6-8) 1.56 5.32 -32.73 1 3 1 21 209.313 3

Activity (Go SEA)

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