UCSF

ZINC32134042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.58 6.56 -39.35 2 2 1 20 288.242 4
Lo Low (pH 4.5-6) 3.58 7.4 -33.8 2 2 1 16 288.242 4
Lo Low (pH 4.5-6) 3.58 8.8 -114.5 3 2 2 21 289.25 4

Activity (Go SEA)

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