UCSF

ZINC20385572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 26 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) 2.58 10.23 -44.38 1 5 1 41 357.522 3
Hi High (pH 8-9.5) 2.58 7.9 -10.06 0 5 0 40 356.514 3

Activity (Go SEA)

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