UCSF

ZINC37989025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 2.43 9.04 -60.52 2 5 1 57 405.114 6
Mid Mid (pH 6-8) 2.43 7.68 -12.38 1 5 0 52 404.106 6

Activity (Go SEA)

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