UCSF

ZINC12116749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 25 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) 3.10 1.36 -105.63 3 4 2 39 342.531 5
Mid Mid (pH 6-8) 3.10 1.57 -198.56 4 4 3 40 343.539 5

Activity (Go SEA)

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