UCSF

ZINC20927409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 22 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) 5.15 11.22 -47.4 2 2 1 26 428.188 7
Hi High (pH 8-9.5) 5.15 10.11 -3.77 1 2 0 21 427.18 7

Activity (Go SEA)

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