UCSF

ZINC27891374

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) 4.51 9.15 -114.17 4 4 2 52 358.526 9
Hi High (pH 8-9.5) 4.51 8.07 -39.14 3 4 1 47 357.518 9
Hi High (pH 8-9.5) 4.51 8.06 -37.61 3 4 1 47 357.518 9
Mid Mid (pH 6-8) 4.51 9.06 -112.63 4 4 2 52 358.526 9

Activity (Go SEA)

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