UCSF

ZINC33752997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 22 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) 2.70 5.18 -12.24 1 5 0 66 318.398 5
Hi High (pH 8-9.5) 2.70 5.26 -48.44 0 5 -1 69 317.39 5

Activity (Go SEA)

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