UCSF

ZINC09237033

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 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) 4.46 1.45 -11.3 0 6 0 72 460.917 5
Lo Low (pH 4.5-6) 4.46 1.57 -40.93 1 6 1 73 461.925 5

Activity (Go SEA)

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