UCSF

ZINC33714372

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 28 No

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) 5.74 8.74 -9.62 2 5 0 75 394.496 6
Hi High (pH 8-9.5) 6.20 7.22 -47.45 1 5 -1 78 393.488 6
Hi High (pH 8-9.5) 6.20 6.73 -48.46 1 5 -1 78 393.488 6

Activity (Go SEA)

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