UCSF

ZINC16968410

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 33 No

CAS Number: 57-62-5

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) -0.06 -2.23 -50.06 6 10 -1 184 477.877 2
Hi High (pH 8-9.5) -0.06 -1.25 -99.42 5 10 -2 187 476.869 2
Mid Mid (pH 6-8) -0.06 -1.93 -60.22 8 10 1 183 479.893 2
Mid Mid (pH 6-8) -0.06 -0.09 -47.86 7 10 0 186 478.885 2

Activity (Go SEA)

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