UCSF

ZINC39856644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.01 11.73 -22.12 1 5 0 68 414.914 7
Hi High (pH 8-9.5) 5.19 9.34 -48.48 0 5 -1 75 413.906 7

Activity (Go SEA)

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