UCSF

ZINC06131844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.32 9.71 -31.14 1 5 1 58 373.432 4
Mid Mid (pH 6-8) 5.32 10.2 -97.63 2 5 2 60 374.44 4
Lo Low (pH 4.5-6) 5.32 10.3 -33.02 1 5 1 58 373.432 4

Activity (Go SEA)

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