UCSF

ZINC35425461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 33 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) 3.45 11.36 -19.87 1 9 0 94 446.511 6
Lo Low (pH 4.5-6) 3.45 11.63 -41.3 2 9 1 95 447.519 6

Activity (Go SEA)

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