UCSF

ZINC16732239

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.10 10.45 -15.82 1 6 0 80 454.526 9
Mid Mid (pH 6-8) 3.52 11.12 -24.86 0 6 0 77 454.526 9
Lo Low (pH 4.5-6) 4.55 10.42 -53.85 2 6 1 81 455.534 8
Lo Low (pH 4.5-6) 3.52 11.41 -52.79 1 6 1 78 455.534 9

Activity (Go SEA)

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