UCSF

ZINC41586346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 No

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) 4.22 10.63 -45.51 2 6 1 81 428.53 6
Hi High (pH 8-9.5) 4.22 9.19 -45.12 0 6 -1 83 426.514 6
Mid Mid (pH 6-8) 4.22 11.39 -29.66 1 6 0 84 427.522 6
Mid Mid (pH 6-8) 4.22 8.41 -9.99 1 6 0 80 427.522 6

Activity (Go SEA)

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