UCSF

ZINC36273134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 3.88 9.87 -38.91 3 4 1 48 329.855 5
Mid Mid (pH 6-8) 3.88 8.82 -8.28 2 4 0 47 328.847 5
Lo Low (pH 4.5-6) 3.88 10.22 -88.64 4 4 2 49 330.863 5

Activity (Go SEA)

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