UCSF

ZINC61760529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 27 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) 2.97 10.54 -45.17 1 5 1 43 369.485 9
Hi High (pH 8-9.5) 2.97 8.3 -12.1 0 5 0 42 368.477 9

Activity (Go SEA)

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