UCSF

ZINC23549773

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 19 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) 3.19 6.22 -41.09 3 4 1 55 271.425 7
Hi High (pH 8-9.5) 3.19 5.97 -37.31 3 4 1 55 271.425 7
Mid Mid (pH 6-8) 3.19 4.94 -3.96 2 4 0 50 270.417 7

Activity (Go SEA)

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