UCSF

ZINC43902417

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.60 9.44 -32.21 2 2 1 16 269.412 4
Mid Mid (pH 6-8) 3.60 10.34 -122.14 3 2 2 21 270.42 4
Mid Mid (pH 6-8) 3.60 8.47 -36.82 2 2 1 20 269.412 4

Activity (Go SEA)

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