UCSF

ZINC43411468

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.83 3.33 -35.44 3 4 1 49 281.42 7
Mid Mid (pH 6-8) 1.83 4.17 -30.8 3 4 1 46 281.42 7
Lo Low (pH 4.5-6) 1.83 5.44 -109.74 4 4 2 51 282.428 7

Activity (Go SEA)

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