UCSF

ZINC05385613

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 36 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) 6.84 1.85 -7.8 0 6 0 74 483.564 10
Mid Mid (pH 6-8) 7.02 1.84 -7.74 0 6 0 74 483.564 10

Activity (Go SEA)

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