UCSF

ZINC28540082

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 22 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) 4.20 9.89 -10.47 0 4 0 39 315.442 5
Lo Low (pH 4.5-6) 4.20 10.3 -28.98 1 4 1 41 316.45 5

Activity (Go SEA)

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