UCSF

ZINC16442178

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 18 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) 1.96 7.97 -39.42 1 4 1 39 264.374 2
Hi High (pH 8-9.5) 1.96 5.72 -9.35 0 4 0 38 263.366 2
Hi High (pH 8-9.5) 1.96 6.12 -30.78 1 4 1 39 264.374 2

Activity (Go SEA)

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