UCSF

ZINC08764261

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 36 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) 4.86 -0.25 -18.32 1 7 0 81 483.568 9
Lo Low (pH 4.5-6) 4.86 -0.08 -51.37 2 7 1 83 484.576 9

Activity (Go SEA)

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