UCSF

ZINC20092701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.76 3.66 -9.52 2 4 0 51 273.332 5
Hi High (pH 8-9.5) 3.76 4.45 -47.26 1 4 -1 54 272.324 5

Activity (Go SEA)

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