UCSF

ZINC19959556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

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) 2.60 6.36 -127.77 4 4 2 51 345.281 6
Hi High (pH 8-9.5) 2.60 5.74 -63.9 2 4 0 49 343.265 6
Mid Mid (pH 6-8) 2.60 5 -37.11 3 4 1 46 344.273 6

Activity (Go SEA)

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