UCSF

ZINC37087393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.06 5.05 -49.25 2 5 1 52 246.338 3
Hi High (pH 8-9.5) 0.06 3.65 -9.6 1 5 0 48 245.33 3

Activity (Go SEA)

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