UCSF

ZINC21800004

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 3.49 7.96 -19.65 1 5 0 50 368.868 3
Mid Mid (pH 6-8) 3.49 10.19 -54.83 2 5 1 51 369.876 3
Mid Mid (pH 6-8) 3.49 8.37 -32.26 2 5 1 51 369.876 3
Lo Low (pH 4.5-6) 3.49 10.59 -107.35 3 5 2 53 370.884 3

Activity (Go SEA)

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