UCSF

ZINC13425369

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 23 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) 2.74 8.84 -9.74 1 5 0 64 327.409 5
Mid Mid (pH 6-8) 2.74 7.66 -41.94 0 5 -1 66 326.401 6
Lo Low (pH 4.5-6) 2.92 8.54 -16.55 1 5 0 67 327.409 5

Activity (Go SEA)

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