UCSF

ZINC36273171

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) 3.24 8.65 -40.88 3 5 1 57 325.436 6
Mid Mid (pH 6-8) 3.24 7.62 -12.17 2 5 0 56 324.428 6
Lo Low (pH 4.5-6) 3.24 8.91 -84.98 4 5 2 58 326.444 6

Activity (Go SEA)

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