UCSF

ZINC05445807

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 30 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) 2.55 9.26 -64.4 0 6 -1 83 399.426 6
Mid Mid (pH 6-8) 2.99 -0.11 -24.83 1 6 0 79 400.434 5
Lo Low (pH 4.5-6) 2.99 0 -46.66 2 6 1 80 401.442 5

Activity (Go SEA)

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