UCSF

ZINC20851469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 1.68 8.99 -49.57 0 7 -1 92 299.31 5
Lo Low (pH 4.5-6) 1.68 9.44 -24.29 1 7 0 94 300.318 5

Activity (Go SEA)

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