UCSF

ZINC34681922

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 3.98 13.75 -59.5 2 8 1 95 468.484 6
Hi High (pH 8-9.5) 3.98 11.94 -13.64 1 8 0 94 467.476 6
Lo Low (pH 4.5-6) 3.98 14.1 -122.38 3 8 2 97 469.492 6

Activity (Go SEA)

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