UCSF

ZINC41091112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 26 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) 6.93 11.22 -7.49 1 3 0 46 371.546 7
Hi High (pH 8-9.5) 6.93 11.25 -46.7 0 3 -1 48 370.538 7

Activity (Go SEA)

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