UCSF

ZINC25445339

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 4.01 6.77 -26.91 2 8 0 110 480.999 8
Hi High (pH 8-9.5) 4.07 5.94 -102.29 0 8 -2 119 478.983 8
Mid Mid (pH 6-8) 4.01 6.84 -59.17 1 8 -1 112 479.991 8

Activity (Go SEA)

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