UCSF

ZINC44922174

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 28 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) -0.36 1.51 -64.89 2 8 -1 132 402.383 4
Hi High (pH 8-9.5) 0.42 3.24 -57.26 2 8 -1 128 402.383 4
Hi High (pH 8-9.5) 0.94 1.24 -107.79 1 8 -2 135 401.375 4
Lo Low (pH 4.5-6) -0.36 1.08 -22.66 3 8 0 129 403.391 4

Activity (Go SEA)

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