UCSF

ZINC28903501

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 26 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) 5.73 12.88 -9.86 0 4 0 32 382.558 5
Lo Low (pH 4.5-6) 5.73 13.25 -32.32 1 4 1 34 383.566 5

Activity (Go SEA)

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