UCSF

ZINC32228576

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) 3.87 10.23 -29.34 2 3 1 26 313.465 9
Lo Low (pH 4.5-6) 3.87 10.99 -110.95 3 3 2 30 314.473 9

Activity (Go SEA)

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