UCSF

ZINC41511161

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.09 11.12 -41.91 2 4 1 55 483.304 4
Hi High (pH 8-9.5) 6.09 11.69 -24.3 1 4 0 58 482.296 4

Activity (Go SEA)

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