UCSF

ZINC60110617

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 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) 2.52 8.88 -46.69 2 3 1 34 258.389 4
Mid Mid (pH 6-8) 2.52 9.32 -78.6 3 3 2 36 259.397 4

Activity (Go SEA)

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