UCSF

ZINC07256054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2006 25 Yes

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) 2.59 8.07 -23.69 1 6 0 77 358.467 4
Lo Low (pH 4.5-6) 2.59 8.32 -41.62 2 6 1 78 359.475 4

Activity (Go SEA)

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