UCSF

ZINC09763885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 29 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) 3.95 1.44 -12.55 1 6 0 83 388.423 5
Mid Mid (pH 6-8) 3.36 1.28 -15.24 0 6 0 80 388.423 5
Lo Low (pH 4.5-6) 3.95 1.67 -38.31 2 6 1 84 389.431 5
Lo Low (pH 4.5-6) 3.36 1.5 -45.43 1 6 1 81 389.431 5

Activity (Go SEA)

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