UCSF

ZINC32549436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.44 9.94 -50.91 1 8 -1 112 486.002 5
Lo Low (pH 4.5-6) 5.44 10.09 -17.73 2 8 0 110 487.01 5

Activity (Go SEA)

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