UCSF

ZINC16666293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 23 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) 5.58 9.18 -7.82 1 3 0 45 326.396 2
Hi High (pH 8-9.5) 6.04 7.18 -50.22 0 3 -1 48 325.388 2
Hi High (pH 8-9.5) 6.04 7.79 -49.79 0 3 -1 48 325.388 2
Mid Mid (pH 6-8) 5.09 9.59 -45.36 0 3 -1 44 325.388 3
Lo Low (pH 4.5-6) 5.09 9.77 -14.03 1 3 0 42 326.396 3

Activity (Go SEA)

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