UCSF

ZINC44517670

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 No

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) 3.19 10.41 -117.29 3 5 2 67 293.411 6
Mid Mid (pH 6-8) 3.19 9.41 -38.61 2 5 1 62 292.403 6

Activity (Go SEA)

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