UCSF

ZINC23024556

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 22 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) 2.52 7.25 -19.88 2 5 0 71 318.377 5
Mid Mid (pH 6-8) 2.59 6.08 -42.83 1 5 -1 77 317.369 5

Activity (Go SEA)

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