UCSF

ZINC16741709

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 29 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) 4.77 8.48 -55.39 1 5 -1 78 392.475 7
Mid Mid (pH 6-8) 4.96 5.13 -52.08 1 5 -1 82 392.475 7
Mid Mid (pH 6-8) 4.19 8.46 -17.99 1 5 0 72 393.483 7
Lo Low (pH 4.5-6) 4.77 7.72 -11.77 2 5 0 76 393.483 7

Activity (Go SEA)

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