UCSF

ZINC43974400

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) 2.19 6.05 -30.55 2 4 1 35 283.436 5
Hi High (pH 8-9.5) 2.19 4.55 -2.05 1 4 0 34 282.428 5
Hi High (pH 8-9.5) 2.19 5.36 -34.75 2 4 1 38 283.436 5

Activity (Go SEA)

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