UCSF

ZINC20839567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 4.60 10.56 -19 1 7 0 82 431.587 9
Hi High (pH 8-9.5) 4.79 9.5 -49.07 0 7 -1 88 430.579 9

Activity (Go SEA)

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