UCSF

ZINC35291175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 23 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) 0.43 0.75 -17.05 1 7 0 96 355.441 6
Hi High (pH 8-9.5) 0.43 0.35 -43.79 0 7 -1 99 354.433 6
Lo Low (pH 4.5-6) 0.43 0.77 -50.34 1 7 0 100 355.441 6

Activity (Go SEA)

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