UCSF

ZINC23675683

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 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) 2.44 6.13 -48.79 3 6 1 85 345.419 10
Hi High (pH 8-9.5) 2.44 4.93 -14.41 2 6 0 81 344.411 10

Activity (Go SEA)

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