UCSF

ZINC25447110

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 No

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) 4.54 7.48 -44.78 1 10 -1 145 489.555 8
Hi High (pH 8-9.5) 4.61 6.57 -93.66 0 10 -2 152 488.547 8
Mid Mid (pH 6-8) 4.54 7.45 -19.09 2 10 0 143 490.563 8

Activity (Go SEA)

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