UCSF

ZINC29338861

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 27 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) 0.76 10.24 -61.18 0 5 -1 65 371.363 4
Lo Low (pH 4.5-6) -1.92 9.27 -25.06 1 5 0 68 372.371 3

Activity (Go SEA)

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