UCSF

ZINC11973600

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2008 30 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) 3.41 1.45 -38.36 2 5 1 51 405.497 5
Lo Low (pH 4.5-6) 3.41 1.56 -105.36 3 5 2 53 406.505 5

Activity (Go SEA)

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