UCSF

ZINC22132485

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 3.06 8.19 -12.4 1 6 0 75 371.462 6
Mid Mid (pH 6-8) 3.52 8.63 -36.55 1 6 0 80 371.462 6
Lo Low (pH 4.5-6) 3.06 9.05 -61.47 2 6 1 76 372.47 6

Activity (Go SEA)

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