UCSF

ZINC36611918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 4.54 6.66 -9.55 2 4 0 57 395.054 2
Ref Reference (pH 7) 4.54 6.79 -8.43 2 4 0 57 395.054 2
Hi High (pH 8-9.5) 5.00 4.64 -46.17 1 4 -1 60 394.046 2
Hi High (pH 8-9.5) 5.00 4.9 -44.48 1 4 -1 60 394.046 2

Activity (Go SEA)

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