UCSF

ZINC37802791

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.48 1.79 -44.74 3 5 1 64 263.365 4
Hi High (pH 8-9.5) -0.48 1.44 -10.02 2 5 0 62 262.357 4
Mid Mid (pH 6-8) -0.48 2.5 -83.63 4 5 2 65 264.373 4

Activity (Go SEA)

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