UCSF

ZINC13786952

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 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) 5.33 8.09 -7.43 1 3 0 45 365.277 2
Ref Reference (pH 7) 4.84 7.58 -37.57 0 3 -1 44 364.269 3
Hi High (pH 8-9.5) 5.78 6.29 -45.37 0 3 -1 48 364.269 2

Activity (Go SEA)

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