UCSF

ZINC25948680

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 23 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) 1.40 8 -8.46 2 7 0 80 314.393 4
Lo Low (pH 4.5-6) 1.40 8.46 -30.91 3 7 1 82 315.401 4
Lo Low (pH 4.5-6) 1.40 8.34 -29.47 3 7 1 82 315.401 4

Activity (Go SEA)

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