UCSF

ZINC32247913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.81 6.56 -9.26 1 4 0 42 423.738 5
Lo Low (pH 4.5-6) 3.81 8.95 -51.67 2 4 1 43 424.746 5

Activity (Go SEA)

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