UCSF

ZINC25444803

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 3.16 7.18 -56.15 1 7 -1 103 451.912 6
Hi High (pH 8-9.5) 3.23 6.28 -99.43 0 7 -2 109 450.904 6
Mid Mid (pH 6-8) 3.16 7.11 -27.09 2 7 0 101 452.92 6

Activity (Go SEA)

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