UCSF

ZINC20524869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 15 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) 4.09 7 -35.47 2 2 1 26 402.932 5
Hi High (pH 8-9.5) 4.09 5.54 -2.22 1 2 0 21 401.924 5

Activity (Go SEA)

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