UCSF

ZINC19657527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 25 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) 3.71 11.27 -41.7 2 4 1 38 342.507 6
Hi High (pH 8-9.5) 3.71 9.3 -9.41 1 4 0 37 341.499 6

Activity (Go SEA)

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