UCSF

ZINC04453398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 30 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) 3.50 8.31 -14.67 1 7 0 125 401.47 5
Mid Mid (pH 6-8) 3.50 3.89 -126.28 3 7 2 127 403.486 5
Mid Mid (pH 6-8) 3.50 8.51 -16.37 0 7 0 123 400.462 5

Activity (Go SEA)

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