UCSF

ZINC13466517

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 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) 2.44 5.74 -64.45 2 5 -1 89 304.366 5
Lo Low (pH 4.5-6) 2.44 3.8 -15.82 3 5 0 87 305.374 5

Activity (Go SEA)

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