UCSF

ZINC02459064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 26 No

Download: MOL2 SDF SMILES Flexibase

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) 2.25 6.34 -38.45 1 5 -1 81 354.357 5
Mid Mid (pH 6-8) 2.69 -1.46 -25.64 2 5 0 77 355.365 4
Mid Mid (pH 6-8) 1.67 -1.2 -21.32 1 5 0 74 355.365 5

Activity (Go SEA)

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