UCSF

ZINC32214612

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) 0.32 3.46 -44.97 3 5 1 66 311.377 6
Hi High (pH 8-9.5) 0.32 1.96 -10.41 2 5 0 62 310.369 6

Activity (Go SEA)

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