UCSF

ZINC08996809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 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) 2.78 8.15 -60.26 0 6 -1 83 376.388 6
Mid Mid (pH 6-8) 2.78 9 -13.57 1 6 0 80 377.396 6
Mid Mid (pH 6-8) 2.19 9.55 -13.58 0 6 0 77 377.396 6

Activity (Go SEA)

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