UCSF

ZINC32016648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 31 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) 0.70 9.76 -93.37 2 6 0 82 431.414 3
Lo Low (pH 4.5-6) -2.05 8.79 -68.22 3 6 1 85 432.422 2

Activity (Go SEA)

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