UCSF

ZINC36638110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.04 11.1 -48.19 1 6 1 56 414.551 9
Hi High (pH 8-9.5) 4.04 8.73 -10.23 0 6 0 55 413.543 9

Activity (Go SEA)

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