UCSF

ZINC05154588

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 18 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) 2.52 3.83 -39.64 1 5 -1 74 247.253 4
Mid Mid (pH 6-8) 2.06 5.31 -12.55 2 5 0 71 248.261 4

Activity (Go SEA)

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