UCSF

ZINC16736896

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 5.69 14.58 -72.54 1 6 0 78 487.04 13
Mid Mid (pH 6-8) 6.13 13.43 -56.89 2 6 1 75 488.048 12
Mid Mid (pH 6-8) 5.10 14.45 -55.84 1 6 1 72 488.048 13

Activity (Go SEA)

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