UCSF

ZINC16700805

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 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) 3.10 7.84 -59.03 0 7 -1 88 424.473 10
Mid Mid (pH 6-8) 3.54 6.87 -26.9 1 7 0 85 425.481 9
Mid Mid (pH 6-8) 2.52 7.87 -18.91 0 7 0 82 425.481 10

Activity (Go SEA)

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