UCSF

ZINC09221270

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 25 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) 4.43 -4.45 -13.61 3 5 0 80 372.519 7
Lo Low (pH 4.5-6) 4.43 -4.27 -35.7 4 5 1 82 373.527 7
Lo Low (pH 4.5-6) 4.43 -4.23 -34.52 4 5 1 82 373.527 7

Activity (Go SEA)

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