UCSF

ZINC37794640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.78 2.92 -52.96 2 5 -1 89 234.231 4
Lo Low (pH 4.5-6) 0.78 0.92 -13.3 3 5 0 87 235.239 4

Activity (Go SEA)

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