UCSF

ZINC37574653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 20 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) 5.15 6.55 -38.43 0 3 -1 48 486.962 3
Lo Low (pH 4.5-6) 5.15 6.02 -7.08 1 3 0 46 487.97 3

Activity (Go SEA)

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