UCSF

ZINC21578094

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 4.91 9.29 -16.48 1 5 0 64 363.508 10
Hi High (pH 8-9.5) 4.98 8.4 -44.11 0 5 -1 70 362.5 10

Activity (Go SEA)

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