UCSF

ZINC04733231

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 37 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) 1.09 6.71 -25.85 1 10 0 108 507.543 8
Lo Low (pH 4.5-6) 1.09 7.17 -60.84 2 10 1 110 508.551 8

Activity (Go SEA)

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