UCSF

ZINC45966907

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 29 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) 1.82 9.35 -42.48 2 6 1 57 466.444 8
Mid Mid (pH 6-8) 1.82 10.64 -101.44 3 6 2 62 467.452 8

Activity (Go SEA)

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