UCSF

ZINC33681703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 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) 3.31 9.2 -12.91 1 6 0 46 429.586 10
Mid Mid (pH 6-8) 3.31 11.47 -40.52 2 6 1 47 430.594 10

Activity (Go SEA)

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