UCSF

ZINC34877781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 6.03 13.36 -42.31 1 6 0 82 461.558 6
Mid Mid (pH 6-8) 6.03 13.37 -60.67 0 6 -1 81 460.55 6

Activity (Go SEA)

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