UCSF

ZINC44652701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.08 3.03 -37.49 2 6 1 65 295.407 6
Mid Mid (pH 6-8) 1.08 4.37 -103.93 3 6 2 69 296.415 6
Mid Mid (pH 6-8) 1.08 2.08 -42.42 2 6 1 68 295.407 6

Activity (Go SEA)

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