UCSF

ZINC34475976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 25 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) 1.69 7.37 -38.62 2 5 1 62 343.447 3
Hi High (pH 8-9.5) 1.69 8.14 -61.16 1 5 0 65 342.439 3

Activity (Go SEA)

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