UCSF

ZINC34473276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 29 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) 4.31 12.68 -52.92 1 5 1 43 395.523 7
Hi High (pH 8-9.5) 4.31 10.43 -13.31 0 5 0 42 394.515 7

Activity (Go SEA)

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