UCSF

ZINC40087716

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 3.05 11.32 -11.39 0 5 0 46 379.504 3
Lo Low (pH 4.5-6) 3.05 11.64 -36.3 1 5 1 47 380.512 3

Activity (Go SEA)

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