UCSF

ZINC15919881

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 No

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) 3.90 7.79 -65.12 1 5 -1 81 392.475 6
Mid Mid (pH 6-8) 4.35 7.09 -25.43 2 5 0 78 393.483 5
Mid Mid (pH 6-8) 3.32 8.07 -17.96 1 5 0 75 393.483 6

Activity (Go SEA)

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