UCSF

ZINC24220199

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 26 No

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) 2.61 7.82 -24.87 1 7 0 92 372.45 6
Hi High (pH 8-9.5) 2.79 6.74 -55.55 0 7 -1 99 371.442 6

Activity (Go SEA)

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