UCSF

ZINC31994539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 2.36 7.76 -100.06 3 2 2 21 226.408 2
Hi High (pH 8-9.5) 2.36 6.34 -31.24 2 2 1 16 225.4 2

Activity (Go SEA)

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