UCSF

ZINC00317975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 21 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) 1.56 0.28 -103.4 2 4 2 30 291.439 3
Lo Low (pH 4.5-6) 1.56 0.34 -194.54 3 4 3 32 292.447 3

Activity (Go SEA)

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