UCSF

ZINC15920086

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.82 4.62 -63.91 1 8 -1 108 426.445 9
Mid Mid (pH 6-8) 2.27 3.52 -33.82 2 8 0 106 427.453 8
Mid Mid (pH 6-8) 1.24 4.51 -27.22 1 8 0 102 427.453 9

Activity (Go SEA)

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