UCSF

ZINC23249173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 1.37 4.77 -41.09 3 5 1 64 318.372 5
Mid Mid (pH 6-8) 1.37 4.31 -39.13 3 5 1 64 318.372 5
Mid Mid (pH 6-8) 1.37 2.38 -10.76 2 5 0 63 317.364 5

Activity (Go SEA)

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