UCSF

ZINC27345125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 33 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) 3.82 9.16 -66.44 1 6 -1 90 442.491 8
Lo Low (pH 4.5-6) 3.82 8.33 -18.47 2 6 0 87 443.499 8

Activity (Go SEA)

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