UCSF

ZINC32210771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 4.36 12.75 -32.86 2 2 1 16 309.477 6
Lo Low (pH 4.5-6) 4.36 13.06 -122.3 3 2 2 21 310.485 6

Activity (Go SEA)

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