UCSF

ZINC39891649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 23 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) 4.04 6.84 -52.47 0 5 -1 74 346.457 4
Lo Low (pH 4.5-6) 4.04 6.78 -12.92 1 5 0 72 347.465 4

Activity (Go SEA)

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