UCSF

ZINC39898889

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 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) 5.23 10.38 -10.23 2 5 0 69 461.974 5
Mid Mid (pH 6-8) 5.23 10.48 -13.64 2 5 0 69 461.974 5

Activity (Go SEA)

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