UCSF

ZINC21639907

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 3.07 6.93 -7.69 0 5 0 41 389.297 3
Lo Low (pH 4.5-6) 3.07 9.33 -51.58 1 5 1 43 390.305 3
Lo Low (pH 4.5-6) 3.07 7.23 -32.74 1 5 1 43 390.305 3

Activity (Go SEA)

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