UCSF

ZINC36910285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 3.75 10.87 -49.31 1 3 1 22 294.85 6
Hi High (pH 8-9.5) 3.75 8.76 -7.62 0 3 0 21 293.842 6
Lo Low (pH 4.5-6) 3.75 11.27 -93.91 2 3 2 24 295.858 6

Activity (Go SEA)

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