UCSF

ZINC21784904

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 3.44 5.66 -39.76 1 5 -1 78 348.354 4
Mid Mid (pH 6-8) 2.98 6.79 -11.47 2 5 0 75 349.362 4
Mid Mid (pH 6-8) 2.98 6.2 -17.09 2 5 0 75 349.362 4

Activity (Go SEA)

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