UCSF

ZINC19300754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 27 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) 2.15 8.68 -40.03 1 5 1 37 372.533 4
Lo Low (pH 4.5-6) 2.15 8.7 -39.96 1 5 1 37 372.533 4

Activity (Go SEA)

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