UCSF

ZINC52877689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.26 7.9 -34.22 1 3 1 25 215.361 8
Hi High (pH 8-9.5) 2.26 5.92 -7.44 0 3 0 24 214.353 8

Activity (Go SEA)

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