UCSF

ZINC21682586

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 27 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) 2.11 5.25 -14.67 0 7 0 96 379.445 7
Lo Low (pH 4.5-6) 2.11 5.73 -48.82 1 7 1 97 380.453 7

Activity (Go SEA)

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