UCSF

ZINC49938153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 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) 3.72 8.72 -35.55 2 2 1 16 275.441 7
Hi High (pH 8-9.5) 3.72 6.39 -3.51 1 2 0 15 274.433 7
Mid Mid (pH 6-8) 3.72 10.06 -117.27 3 2 2 21 276.449 7

Activity (Go SEA)

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