UCSF

ZINC39907579

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.87 15.41 -11.48 0 3 0 27 404.941 8
Mid Mid (pH 6-8) 6.87 15.93 -36.56 1 3 1 28 405.949 8

Activity (Go SEA)

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