UCSF

ZINC18240764

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 31 Yes

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) 1.34 5.63 -133.33 2 7 -2 125 409.401 3
Lo Low (pH 4.5-6) 2.13 4.79 -42.91 5 7 1 120 412.425 3
Lo Low (pH 4.5-6) 1.34 6.07 -95.18 3 7 -1 126 410.409 3
Lo Low (pH 4.5-6) 2.27 5.59 -168.61 5 7 3 117 414.441 3

Activity (Go SEA)

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