UCSF

ZINC06420391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 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) 2.52 9.44 -41.47 0 6 -1 83 399.426 6
Mid Mid (pH 6-8) 2.52 8.3 -15.77 1 6 0 80 400.434 6
Mid Mid (pH 6-8) 1.94 9 -26.46 0 6 0 77 400.434 6
Lo Low (pH 4.5-6) 2.52 8.59 -50.53 2 6 1 81 401.442 6
Lo Low (pH 4.5-6) 1.94 9.29 -66.12 1 6 1 78 401.442 6

Activity (Go SEA)

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