UCSF

ZINC23038450

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 29 No

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) 5.01 9.97 -62.13 3 5 1 63 428.862 7
Hi High (pH 8-9.5) 5.01 7.72 -22.52 2 5 0 61 427.854 7

Activity (Go SEA)

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