UCSF

ZINC52573293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 17 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) 2.75 5.07 -34.43 2 3 1 29 245.431 11
Hi High (pH 8-9.5) 2.75 6.86 -24.03 2 3 1 26 245.431 11
Hi High (pH 8-9.5) 2.75 4.97 -0.76 1 3 0 24 244.423 11
Mid Mid (pH 6-8) 2.75 6.9 -98.51 3 3 2 30 246.439 11

Activity (Go SEA)

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