UCSF

ZINC22688393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 2.91 6.09 -15.51 1 5 0 54 371.506 7
Mid Mid (pH 6-8) 2.91 8.43 -54.06 2 5 1 56 372.514 7

Activity (Go SEA)

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