UCSF

ZINC32248548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 29 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) 3.28 8.57 -9.1 1 5 0 59 394.515 9
Lo Low (pH 4.5-6) 3.28 10.83 -45.69 2 5 1 60 395.523 9

Activity (Go SEA)

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