UCSF

ZINC43978217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.69 7.79 -29.54 2 3 1 20 282.496 5
Hi High (pH 8-9.5) 2.69 7.39 -111.22 3 3 2 24 283.504 5
Mid Mid (pH 6-8) 2.69 10.03 -93.82 3 3 2 21 283.504 5
Lo Low (pH 4.5-6) 2.69 7.96 -91.64 3 3 2 24 283.504 5
Lo Low (pH 4.5-6) 2.69 9.62 -200.17 4 3 3 25 284.512 5

Activity (Go SEA)

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