UCSF

ZINC32175415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 4.26 11.23 -33.75 2 2 1 16 297.466 8
Lo Low (pH 4.5-6) 4.26 12.51 -119.24 3 2 2 21 298.474 8

Activity (Go SEA)

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