UCSF

ZINC27428555

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 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) -0.03 4.38 -106.57 3 6 0 93 365.38 3
Mid Mid (pH 6-8) -2.74 3.42 -82.74 4 6 1 96 366.388 2

Activity (Go SEA)

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