UCSF

ZINC43261491

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.16 6.6 -45.94 3 2 1 31 350.371 4
Hi High (pH 8-9.5) 3.16 6.29 -3.18 2 2 0 29 349.363 4
Lo Low (pH 4.5-6) 3.16 8.15 -120.39 4 2 2 32 351.379 4

Activity (Go SEA)

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