UCSF

ZINC44725468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 1.31 4.06 -29.41 2 3 1 26 201.334 6
Hi High (pH 8-9.5) 1.31 2.82 -35.46 2 3 1 29 201.334 6
Hi High (pH 8-9.5) 1.31 1.6 -2.63 1 3 0 24 200.326 6
Lo Low (pH 4.5-6) 1.31 5.28 -102.51 3 3 2 30 202.342 6

Activity (Go SEA)

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