UCSF

ZINC33743483

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 26 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) 1.37 8.08 -47.5 2 6 1 63 378.518 6
Hi High (pH 8-9.5) 1.37 5.8 -17.29 1 6 0 62 377.51 6

Activity (Go SEA)

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