UCSF

ZINC00589957

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 29 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) 4.83 -1.93 -15.43 3 5 0 80 400.507 4
Lo Low (pH 4.5-6) 4.83 -2.15 -82.57 5 5 2 83 402.523 4
Lo Low (pH 4.5-6) 4.83 -2.29 -30.95 4 5 1 82 401.515 4
Lo Low (pH 4.5-6) 4.83 -1.79 -42.44 4 5 1 82 401.515 4

Activity (Go SEA)

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