UCSF

ZINC20240469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.43 9.54 -47.71 3 7 1 82 454.554 6
Hi High (pH 8-9.5) 3.88 5.53 -48.26 1 7 -1 84 452.538 6
Mid Mid (pH 6-8) 3.43 9.54 -51.22 3 7 1 82 454.554 6
Mid Mid (pH 6-8) 3.43 7.28 -13.46 2 7 0 81 453.546 6

Activity (Go SEA)

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