UCSF

ZINC13879006

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2008 20 No

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) 4.39 8.03 -8.63 2 4 0 48 291.42 4
Ref Reference (pH 7) 3.72 8.12 -9.31 2 4 0 46 291.42 5
Hi High (pH 8-9.5) 4.39 7.75 -45.33 1 4 -1 46 290.412 4

Activity (Go SEA)

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