UCSF

ZINC16734479

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 5.06 11.56 -60.39 0 7 -1 88 498.555 12
Mid Mid (pH 6-8) 5.51 10.87 -27.9 1 7 0 85 499.563 11
Mid Mid (pH 6-8) 4.48 11.86 -21.55 0 7 0 82 499.563 12

Activity (Go SEA)

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