UCSF

ZINC08771831

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 32 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) 6.10 12.66 -54.35 0 5 -1 73 479.99 5
Lo Low (pH 4.5-6) 6.10 11.84 -13.86 1 5 0 71 480.998 5

Activity (Go SEA)

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