UCSF

ZINC32250742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 26 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) 3.77 6.86 -8.13 1 4 0 42 397.277 5
Lo Low (pH 4.5-6) 3.77 9.22 -48.17 2 4 1 43 398.285 5

Activity (Go SEA)

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