UCSF

ZINC47079409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2010 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) 1.23 2.51 -16.31 2 6 0 84 264.281 6
Mid Mid (pH 6-8) 1.69 -0.12 -51.62 1 6 -1 87 263.273 6

Activity (Go SEA)

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