UCSF

ZINC39326829

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 37 No

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) 6.00 10.2 -11.66 2 6 0 81 491.591 6
Mid Mid (pH 6-8) 6.00 12.47 -52.62 3 6 1 82 492.599 6

Activity (Go SEA)

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