UCSF

ZINC16735256

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 0.95 6.73 -83.44 3 9 0 130 441.484 10
Mid Mid (pH 6-8) 1.39 5.66 -68.37 4 9 1 128 442.492 9
Mid Mid (pH 6-8) 0.36 6.69 -62.86 3 9 1 124 442.492 10

Activity (Go SEA)

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