UCSF

ZINC39550611

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 32 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) 7.35 14.5 -11.03 2 3 0 49 452.604 6
Mid Mid (pH 6-8) 7.35 15.03 -31.37 3 3 1 50 453.612 6

Activity (Go SEA)

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