UCSF

ZINC43411166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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 3.38 -48.26 3 5 1 73 292.403 8
Mid Mid (pH 6-8) 1.33 4.31 -40.14 3 5 1 70 292.403 8
Lo Low (pH 4.5-6) 1.33 5.45 -121.12 4 5 2 74 293.411 8

Activity (Go SEA)

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