UCSF

ZINC13959883

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 6.26 9.3 -11.14 3 5 0 77 475.467 6
Lo Low (pH 4.5-6) 6.26 9.54 -35.89 4 5 1 78 476.475 6

Activity (Go SEA)

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