UCSF

ZINC09650082

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 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) 3.63 -2.18 -8.61 1 3 0 38 341.274 5
Mid Mid (pH 6-8) 3.63 -1.93 -29.94 2 3 1 39 342.282 5

Activity (Go SEA)

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