UCSF

ZINC39914026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 5.51 7.99 -15.55 3 8 0 108 528.049 12
Mid Mid (pH 6-8) 5.51 8.74 -52.85 2 8 -1 111 527.041 12

Activity (Go SEA)

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