UCSF

ZINC35216737

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 0.74 5.28 -13.23 0 4 0 46 261.712 3
Lo Low (pH 4.5-6) 0.74 5.73 -41.12 1 4 1 47 262.72 3

Activity (Go SEA)

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