UCSF

ZINC17180335

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 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) 1.73 4.68 -60.73 0 9 -1 116 473.527 9
Mid Mid (pH 6-8) 2.18 5.17 -19.29 1 9 0 113 474.535 8
Mid Mid (pH 6-8) 1.15 5.19 -19.07 0 9 0 110 474.535 9

Activity (Go SEA)

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