UCSF

ZINC39767393

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 3.42 9.63 -20.69 1 7 0 86 453.391 6
Hi High (pH 8-9.5) 3.61 8.09 -51.68 0 7 -1 92 452.383 6

Activity (Go SEA)

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