UCSF

ZINC36673373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 1.75 3.55 -43.07 2 3 1 35 206.265 0
Hi High (pH 8-9.5) 1.75 2.34 -4.92 1 3 0 30 205.257 0

Activity (Go SEA)

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