UCSF

ZINC38610573

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 5.37 9.58 -15.55 2 7 0 88 463.578 12
Mid Mid (pH 6-8) 5.37 10.35 -55.87 1 7 -1 91 462.57 12

Activity (Go SEA)

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