UCSF

ZINC06252883

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 28 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) 3.05 6.02 -12.33 2 6 0 80 375.428 7
Lo Low (pH 4.5-6) 3.05 6.74 -42.5 3 6 1 82 376.436 7

Activity (Go SEA)

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