UCSF

ZINC18223066

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) 1.79 4.19 -59.49 3 7 -1 122 410.409 3
Ref Reference (pH 7) 1.39 5.44 -137.09 2 7 -2 125 409.401 3
Lo Low (pH 4.5-6) 2.19 4.74 -41.82 5 7 1 120 412.425 3
Lo Low (pH 4.5-6) 1.85 5.56 -172.15 5 7 3 117 414.441 3

Activity (Go SEA)

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