UCSF

ZINC21784187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 23 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) 3.74 6.22 -41.69 1 5 -1 78 328.417 3
Mid Mid (pH 6-8) 3.28 7.34 -11.23 2 5 0 75 329.425 3
Mid Mid (pH 6-8) 3.28 6.74 -15.73 2 5 0 75 329.425 3

Activity (Go SEA)

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