UCSF

ZINC36273379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 3.63 10.3 -45.34 3 4 1 48 317.416 3
Mid Mid (pH 6-8) 3.63 9.21 -11.34 2 4 0 47 316.408 3
Lo Low (pH 4.5-6) 3.63 10.51 -89.92 4 4 2 49 318.424 3

Activity (Go SEA)

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