UCSF

ZINC36273997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 2.44 6.9 -45.73 2 5 1 46 341.41 4
Hi High (pH 8-9.5) 2.44 5.53 -10.08 1 5 0 42 340.402 4
Lo Low (pH 4.5-6) 2.44 7.5 -81.01 3 5 2 48 342.418 4

Activity (Go SEA)

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