UCSF

ZINC20362924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 23 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) 2.10 5.15 -38.33 2 5 1 54 321.441 7
Hi High (pH 8-9.5) 2.10 3.06 -7.68 1 5 0 53 320.433 7
Mid Mid (pH 6-8) 2.10 5.31 -48.49 2 5 1 54 321.441 7

Activity (Go SEA)

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