UCSF

ZINC41478160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.67 9.57 -84.41 2 5 2 48 301.39 4
Mid Mid (pH 6-8) 2.67 9.4 -49.61 1 5 1 47 300.382 4
Mid Mid (pH 6-8) 2.67 7.22 -29.24 1 5 1 47 300.382 4
Mid Mid (pH 6-8) 2.67 7.06 -10.31 0 5 0 46 299.374 4

Activity (Go SEA)

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