UCSF

ZINC30274418

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 20 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) 3.22 7.81 -46.55 2 4 1 47 293.774 6
Hi High (pH 8-9.5) 3.22 5.57 -13.53 1 4 0 45 292.766 6

Activity (Go SEA)

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