UCSF

ZINC04171531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.90 10.6 -14.7 1 4 0 62 352.478 6
Mid Mid (pH 6-8) 4.49 0.32 -34.54 3 4 1 67 353.486 5
Mid Mid (pH 6-8) 3.90 -0.25 -38.36 2 4 1 63 353.486 6

Activity (Go SEA)

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