UCSF

ZINC44624131

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 3.41 7.98 -41.18 2 3 1 34 266.796 5
Hi High (pH 8-9.5) 3.41 6.84 -5.84 1 3 0 30 265.788 5

Activity (Go SEA)

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