UCSF

ZINC19216347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 26 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) 1.89 8.38 -74 1 6 0 78 354.406 6
Hi High (pH 8-9.5) 1.89 5.86 -61.32 0 6 -1 77 353.398 6
Lo Low (pH 4.5-6) 1.89 7.56 -50.23 2 6 1 75 355.414 6

Activity (Go SEA)

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