UCSF

ZINC05800625

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 2.51 7.53 -65.59 1 6 -1 94 399.426 5
Mid Mid (pH 6-8) 2.96 -1.97 -22.72 2 6 0 90 400.434 4
Mid Mid (pH 6-8) 1.93 -1.92 -28.58 1 6 0 87 400.434 5
Lo Low (pH 4.5-6) 2.96 -1.48 -41.42 3 6 1 91 401.442 4

Activity (Go SEA)

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