UCSF

ZINC05315142

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 17 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) 2.06 2.65 -17.58 1 4 0 59 264.228 1
Mid Mid (pH 6-8) 2.06 2.24 -33.02 0 4 -1 61 263.22 1

Activity (Go SEA)

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