UCSF

ZINC39898080

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 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) 3.15 4.69 -11.58 3 6 0 89 401.825 5
Mid Mid (pH 6-8) 3.15 4.8 -14.33 3 6 0 89 401.825 5

Activity (Go SEA)

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