UCSF

ZINC23317861

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 31 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) 4.68 13.2 -15.42 0 4 0 38 433.449 5
Lo Low (pH 4.5-6) 4.68 13.64 -43 1 4 1 39 434.457 5

Activity (Go SEA)

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