UCSF

ZINC18150467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.04 7.92 -13.41 0 6 0 51 358.438 7
Lo Low (pH 4.5-6) 2.04 8.69 -26.1 1 6 0 52 359.446 7

Activity (Go SEA)

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