UCSF

ZINC36673142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.56 6.72 -38.75 2 2 1 26 246.374 0
Hi High (pH 8-9.5) 3.56 5.73 -3.48 1 2 0 21 245.366 0

Activity (Go SEA)

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