UCSF

ZINC41586555

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 5.31 11.63 -41.89 2 6 1 77 429.924 7
Hi High (pH 8-9.5) 5.31 12.19 -23.97 1 6 0 80 428.916 7
Hi High (pH 8-9.5) 5.31 9.95 -44.2 0 6 -1 79 427.908 7
Mid Mid (pH 6-8) 5.31 9.37 -14.44 1 6 0 76 428.916 7

Activity (Go SEA)

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