UCSF

ZINC08996867

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 4.25 10.66 -63.08 0 8 -1 105 479.896 8
Mid Mid (pH 6-8) 3.66 10.93 -16.99 0 8 0 99 480.904 8
Mid Mid (pH 6-8) 4.69 10 -24.58 1 8 0 102 480.904 7

Activity (Go SEA)

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