UCSF

ZINC46085142

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 26 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) 5.24 9.72 -11.98 1 5 0 64 352.434 7
Hi High (pH 8-9.5) 5.24 10.85 -63.73 0 5 -1 67 351.426 7

Activity (Go SEA)

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