UCSF

ZINC32549430

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 31 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) 4.96 9.34 -50.67 1 8 -1 112 471.975 5
Lo Low (pH 4.5-6) 4.96 9.47 -20.31 2 8 0 110 472.983 5

Activity (Go SEA)

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