UCSF

ZINC39914703

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 35 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) 5.85 11.66 -10.21 2 6 0 78 485.971 7
Mid Mid (pH 6-8) 5.85 12.44 -47.59 1 6 -1 81 484.963 7

Activity (Go SEA)

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