UCSF

ZINC05446291

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 31 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) 2.99 8.91 -60.89 0 6 -1 83 413.453 6
Mid Mid (pH 6-8) 3.44 0.57 -19.82 1 6 0 79 414.461 5
Lo Low (pH 4.5-6) 2.99 8.54 -45.91 2 6 1 81 415.469 6

Activity (Go SEA)

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