UCSF

ZINC36272102

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) 1.33 5.98 -42.56 3 7 1 77 332.428 6
Mid Mid (pH 6-8) 1.33 5.98 -40.91 3 7 1 77 332.428 6
Mid Mid (pH 6-8) 1.33 3.73 -13.44 2 7 0 76 331.42 6
Lo Low (pH 4.5-6) 1.33 6.44 -76.87 4 7 2 79 333.436 6

Activity (Go SEA)

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