UCSF

ZINC32247616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 24 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) 2.74 9.26 -21.68 0 5 0 47 321.38 5
Lo Low (pH 4.5-6) 2.74 9.68 -37.31 1 5 1 49 322.388 5

Activity (Go SEA)

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