UCSF

ZINC16734861

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) 3.28 11.49 -76.94 1 8 0 100 464.518 11
Hi High (pH 8-9.5) 3.28 8.96 -56.29 0 8 -1 99 463.51 11
Mid Mid (pH 6-8) 3.73 10.34 -66.69 2 8 1 98 465.526 10
Mid Mid (pH 6-8) 2.70 11.38 -69.62 1 8 1 94 465.526 11

Activity (Go SEA)

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