UCSF

ZINC32229600

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) 2.99 6.89 -45.35 3 4 1 55 314.405 9
Hi High (pH 8-9.5) 2.99 5.44 -8.7 2 4 0 51 313.397 9

Activity (Go SEA)

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