UCSF

ZINC06411783

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.86 6.43 -15.52 1 6 0 70 337.331 1
Mid Mid (pH 6-8) 3.06 6.99 -66.74 0 6 -1 73 336.323 1

Activity (Go SEA)

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