UCSF

ZINC37864152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 4.28 8.14 -4.11 1 2 0 21 269.388 6
Mid Mid (pH 6-8) 4.28 9.33 -38.39 2 2 1 26 270.396 6

Activity (Go SEA)

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