UCSF

ZINC25444799

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 Yes

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) 3.29 7.81 -30.13 2 8 0 110 458.565 8
Hi High (pH 8-9.5) 3.29 7.88 -67.94 1 8 -1 112 457.557 8
Hi High (pH 8-9.5) 3.36 6.9 -58.41 1 8 -1 117 457.557 8
Hi High (pH 8-9.5) 3.36 6.97 -114.11 0 8 -2 119 456.549 8

Activity (Go SEA)

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