UCSF

ZINC42867314

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 2.91 8.07 -112.72 3 2 2 21 226.408 2
Hi High (pH 8-9.5) 2.91 6.5 -37.22 2 2 1 20 225.4 2
Hi High (pH 8-9.5) 2.91 5.25 -0.6 1 2 0 15 224.392 2
Mid Mid (pH 6-8) 2.91 6.81 -31.02 2 2 1 16 225.4 2

Activity (Go SEA)

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