UCSF

ZINC16944075

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 Yes

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) -1.13 -3.63 -46.83 3 6 1 79 199.234 3
Hi High (pH 8-9.5) -1.13 -4.03 -7.67 2 6 0 77 198.226 3
Mid Mid (pH 6-8) -1.13 -1.36 -101.67 4 6 2 80 200.242 3

Activity (Go SEA)

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