UCSF

ZINC20102385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 25 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) 2.13 7.38 -20.98 2 7 0 88 336.351 4
Hi High (pH 8-9.5) 2.13 6.91 -48.61 1 7 -1 87 335.343 4

Activity (Go SEA)

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