UCSF

ZINC05329153

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 26 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) 1.73 -2.71 -15.85 3 7 0 111 403.26 5
Hi High (pH 8-9.5) 1.73 -2.14 -38.72 2 7 -1 113 402.252 5

Activity (Go SEA)

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