UCSF

ZINC32189339

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.04 8.66 -47.69 0 2 -1 40 205.277 2
Lo Low (pH 4.5-6) 3.04 6.67 -5.7 1 2 0 37 206.285 2

Activity (Go SEA)

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