UCSF

ZINC20358524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 1.05 3.96 -48.44 3 6 1 75 284.38 7
Hi High (pH 8-9.5) 1.05 2.84 -14.66 2 6 0 71 283.372 7

Activity (Go SEA)

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